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Coenzymes and cofactors

Dehydrogenase, formate

Also known as Formate dehydrogenase, E.C. 1.2.1.2, Formate Dehydrogenase from Candida boidinii

CAS 9028-85-7Formula C194H219BrO47S4Molar mass 3,511.01 g/molEC 232-844-2
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Dehydrogenase, formate chemical structure, C194H219BrO47S4, CAS 9028-85-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
9028-85-7
Formula
C194H219BrO47S4
Molar mass
3,511.01 g/mol
EC number
232-844-2
HS code
293220
Category
Coenzymes and cofactors

What is Dehydrogenase, formate?

Plain description, key identifiers and synonyms

Dehydrogenase, formate is a chemical substance with the molecular formula C194H219BrO47S4 and a molar mass of 3,511.01 g/mol. Its CAS registry number is 9028-85-7. The IUPAC name is methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate, methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate
CAS number
9028-85-7 CAS number cross-checkedOther or deprecated CAS: 90463-51-7
EC number
232-844-2
Molecular formula
C194H219BrO47S4
InChIKey
MECJGSAIRDLPQG-UHFFFAOYSA-N
InChI
InChI=1S/C31H36O7.C29H30O7S.C29H32O7.C29H32O6S.C26H31BrO6S.C26H30O7.C24H28O7S/c1-19(2)11-12-22-13-14-23-17-24(37-27(23)16-22)15-21(4)30(34)29-25(32)18-26(38-31(29)35)20(3)9-7-6-8-10-28(33)36-5;1-18-10-12-21(13-11-18)35-26-15-14-22(37-26)16-20(3)28(32)27-23(30)17-24(36-29(27)33)19(2)8-6-5-7-9-25(31)34-4;1-5-9-20-12-13-21-16-22(35-25(21)15-20)14-19(3)28(32)27-23(30)17-24(36-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-5-9-20-12-13-21-16-22(36-25(21)15-20)14-19(3)28(32)27-23(30)17-24(35-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-15(2)11-22-19(27)13-18(34-22)12-17(4)25(30)24-20(28)14-21(33-26(24)31)16(3)9-7-6-8-10-23(29)32-5;1-5-32-20-13-11-19(12-14-20)15-18(3)25(29)24-21(27)16-22(33-26(24)30)17(2)9-7-6-8-10-23(28)31-4;1-5-30-21-12-11-17(32-21)13-16(3)23(27)22-18(25)14-19(31-24(22)28)15(2)9-7-6-8-10-20(26)29-4/h6,8,13-20,32H,7,9-12H2,1-5H3;5,7,10-17,19,30H,6,8-9H2,1-4H3;2*6,8,12-18,30H,5,7,9-11H2,1-4H3;6,8,12-16,28H,7,9-11H2,1-5H3;6,8,11-17,27H,5,7,9-10H2,1-4H3;6,8,11-15,25H,5,7,9-10H2,1-4H3
SMILES (canonical and isomeric)
CCCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCCC1=CC2=C(C=C1)C=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(C=C1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CC1=CC=C(C=C1)OC2=CC=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CC1=C(C=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O)Br

Synonyms

  • Formate dehydrogenase
  • E.C. 1.2.1.2
  • Formate Dehydrogenase from Candida boidinii
  • Dehydrogenase, formate(nicotinamide adenine dinucleotide phosphate)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
3,511.01 g/molcalc.
Exact mass
3,507.2813 Dacalc.
LogP (octanol/water)
43.69calc.
Topological polar surface area
710.6 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
51calc.
Rotatable bonds
78calc.
Heavy atoms
246calc.
Rings
18calc.
Aromatic rings
18calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
7calc.
Components
7calc.
Lipinski rule of five
Fails (4 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(C=Cc1cc2ccccc2o1)c1cccoc1=O

O=C(C=Cc1cc2ccccc2o1)c1cccoc1=O

3 rings, 20 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Dehydrogenase, formate suppliers

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Dehydrogenase, formate price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Exempt from Chemical Data Reporting

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dehydrogenase, formate is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Dehydrogenase, formate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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