Pyrophaeophorbide-a-monomethyl ester
TL;DR: Pyrophaeophorbide-a-monomethyl ester (CAS 6453-67-4) is a chemical compound with molecular formula C34H36N4O3 and molecular weight 548.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(16-ethenyl-11-ethyl-4-hydroxy-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)butanoate
Also Known As: Pyrophaeophorbide-a-monomethyl ester, Methyl 3-(16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoate, methyl 4-(16-ethenyl-11-ethyl-4-hydroxy-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)butanoate, 9-Ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbine-3-propanoicacid meth, 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, methyl ester, (3S,4S)-
| Molecular Formula | C34H36N4O3 |
|---|---|
| Molecular Weight | 548.28 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.27875 |
| Heavy Atoms | 41 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 6453-67-4 |
|---|---|
| SMILES | CCC1=C(C2=NC1=CC3=CC4=C(CC(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCCC(=O)OC)C4=N3)O)C |
| InChIKey | YMBZVJAREAJWOI-UHFFFAOYSA-N |
Product Overview
Pyrophaeophorbide-a-monomethyl ester (CAS 6453-67-4), with molecular formula C34H36N4O3 and molecular weight 548.28 g/mol. IUPAC: methyl 4-(16-ethenyl-11-ethyl-4-hydroxy-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)butanoate.
Chemical Property Profile of Pyrophaeophorbide-a-monomethyl ester
Property Insights of Pyrophaeophorbide-a-monomethyl ester
The XLogP value of 3.4 indicates that Pyrophaeophorbide-a-monomethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrophaeophorbide-a-monomethyl ester. Following Lipinski's Rule of Five, Pyrophaeophorbide-a-monomethyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrophaeophorbide-a-monomethyl ester?
The CAS number of Pyrophaeophorbide-a-monomethyl ester is 6453-67-4.
What is the molecular formula of Pyrophaeophorbide-a-monomethyl ester?
The molecular formula of Pyrophaeophorbide-a-monomethyl ester is C34H36N4O3.
What is the molecular weight of Pyrophaeophorbide-a-monomethyl ester?
The molecular weight of Pyrophaeophorbide-a-monomethyl ester is 548.28 g/mol.
Where can I buy Pyrophaeophorbide-a-monomethyl ester?
You can request a quote for Pyrophaeophorbide-a-monomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrophaeophorbide-a-monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrophaeophorbide-a-monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.