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Heterocyclic building blocks

Pheophytin b

Also known as Chlorophyllic acid b

CAS 3147-18-0Formula C55H72N4O6Molar mass 885.20 g/molEC 221-565-1
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Pheophytin b chemical structure, C55H72N4O6, CAS 3147-18-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3147-18-0
Formula
C55H72N4O6
Molar mass
885.20 g/mol
EC number
221-565-1
HS code
293399
Category
Heterocyclic building blocks

What is Pheophytin b?

Plain description, key identifiers and synonyms

Pheophytin b is a chemical substance with the molecular formula C55H72N4O6 and a molar mass of 885.20 g/mol. Its CAS registry number is 3147-18-0. The IUPAC name is methyl (3R,12E,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (3R,12E,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate
CAS number
3147-18-0
EC number
221-565-1
Molecular formula
C55H72N4O6
UNII
VJ9SZL3T3Y
InChIKey
AMVFDCTXPYHACR-KMFDAVQUSA-N
InChI
InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,58,60H,1,13-24,26H2,2-11H3/b34-25+,41-30+,43-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51-/m1/s1
Canonical SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)C(C(=O)OC)C3=C1NC(=C2)C(C)C1CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Isomeric SMILES
CCC\1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=CC(=N2)/C1=C/O)C(=C6C)C=C)N5)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C

Synonyms

  • Chlorophyllic acid b

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
885.20 g/molcalc.
Exact mass
884.5452 Dacalc.
LogP (octanol/water)
12.13calc.
Topological polar surface area
139 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
20calc.
Heavy atoms
65calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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, C=C1C=C2C=C3C=C4C(=O)CC(=C5CCC(=CC6=NC(=CC1=N2)C=C6)N5)C4=N3

C=C1C=C2C=C3C=C4C(=O)CC(=C5CCC(=CC6=NC(=CC1=N2)C=C6)N5)C4=N3

6 rings, 28 atoms.

17 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.

Pheophytin b suppliers

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Pheophytin b price

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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

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pheophytin b, based on the data on this page

What is Pheophytin b?

Pheophytin b is a chemical substance with the molecular formula C55H72N4O6 and a molar mass of 885.20 g/mol. Its CAS registry number is 3147-18-0.

What is the CAS number of Pheophytin b?

The CAS registry number of Pheophytin b is 3147-18-0.

What is the molecular formula and weight of Pheophytin b?

The molecular formula of Pheophytin b is C55H72N4O6 and its molar mass is 885.20 g/mol.

What is Pheophytin b used for?

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

Is Pheophytin b hazardous?

No GHS hazard classification for Pheophytin b 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 Pheophytin b?

Pheophytin b is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pheophytin b?

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

What is the price of Pheophytin b?

Suppliers quote Pheophytin b 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

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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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