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Heterocyclic building blocks

Solimastat

Also known as (2R,3S)-N-[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-N'-hydroxy-3-methoxy-2-(2-methylpropyl)butanediamide, BB 3644, (2S,3R)-3-((1S)-(2,2-Dimethyl-1-(2-pyridylcarbamoyl)propyl)carbamoyl)-2-methoxy-5-methylhexanohydroxamic acid

CAS 226072-63-5Formula C20H32N4O5Molar mass 408.50 g/mol
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Solimastat chemical structure, C20H32N4O5, CAS 226072-63-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
226072-63-5
Formula
C20H32N4O5
Molar mass
408.50 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Solimastat?

Plain description, key identifiers and synonyms

Solimastat is a chemical substance with the molecular formula C20H32N4O5 and a molar mass of 408.50 g/mol. Its CAS registry number is 226072-63-5. The IUPAC name is (2R,3S)-N-[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-N'-hydroxy-3-methoxy-2-(2-methylpropyl)butanediamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S)-N-[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-N'-hydroxy-3-methoxy-2-(2-methylpropyl)butanediamide
CAS number
226072-63-5
Molecular formula
C20H32N4O5
UNII
414MEG73VU
InChIKey
WORSVFBVUCBRIP-VNQPRFMTSA-N
InChI
InChI=1S/C20H32N4O5/c1-12(2)11-13(15(29-6)18(26)24-28)17(25)23-16(20(3,4)5)19(27)22-14-9-7-8-10-21-14/h7-10,12-13,15-16,28H,11H2,1-6H3,(H,23,25)(H,24,26)(H,21,22,27)/t13-,15+,16-/m1/s1
Canonical SMILES
COC(C(=O)NO)C(CC(C)C)C(=O)NC(C(=O)Nc1ccccn1)C(C)(C)C
Isomeric SMILES
CC(C)C[C@H]([C@@H](C(=O)NO)OC)C(=O)N[C@H](C(=O)NC1=CC=CC=N1)C(C)(C)C

Synonyms

  • (2R,3S)-N-[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-N'-hydroxy-3-methoxy-2-(2-methylpropyl)butanediamide
  • BB 3644
  • (2S,3R)-3-((1S)-(2,2-Dimethyl-1-(2-pyridylcarbamoyl)propyl)carbamoyl)-2-methoxy-5-methylhexanohydroxamic acid
  • Butanediamide, n1-((1S)-2,2-dimethyl-1-((2-pyridinylamino)carbonyl)propyl)-n4-hydroxy-3-methoxy-2-(2-methylpropyl)-, (2R,3S)-

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
408.50 g/molcalc.
Exact mass
408.2373 Dacalc.
LogP (octanol/water)
1.73calc.
Topological polar surface area
129.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
9calc.
Heavy atoms
29calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 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, c1ccncc1

c1ccncc1

1 ring, 6 atoms, the Pyridine ring system.

118,162 other chemicals 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.

Solimastat suppliers

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Solimastat price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Solimastat is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Solimastat, based on the data on this page

What is Solimastat?

Solimastat is a chemical substance with the molecular formula C20H32N4O5 and a molar mass of 408.50 g/mol. Its CAS registry number is 226072-63-5. The IUPAC name is (2R,3S)-N-[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-N'-hydroxy-3-methoxy-2-(2-methylpropyl)butanediamide.

What is the CAS number of Solimastat?

The CAS registry number of Solimastat is 226072-63-5.

What is the molecular formula and weight of Solimastat?

The molecular formula of Solimastat is C20H32N4O5 and its molar mass is 408.50 g/mol.

What is Solimastat used for?

Known uses and roles of Solimastat include building blocks in research and laboratory.

Is Solimastat hazardous?

No GHS hazard classification for Solimastat is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Solimastat?

Solimastat is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Solimastat?

Post a free request on CompoundList and suppliers of Solimastat will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Solimastat?

Suppliers quote Solimastat on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Solimastat

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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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