Bacteriopheophorbide c methyl ester
TL;DR: Bacteriopheophorbide c methyl ester (CAS 81689-98-7) is a chemical compound with molecular formula C36H42N4O4 and molecular weight 594.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-(1-hydroxyethyl)-12,17,19,21-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
Also Known As: Bacteriopheophorbide c methyl ester, Methyl bacteriopheophorbide c, J1.624.375B, Methyl 8-ethyl-12-ethylbacteriopheophorbide c, 31-Hydroxy-121,20-dimethylphytochlorin methyl ester
| Molecular Formula | C36H42N4O4 |
|---|---|
| Molecular Weight | 594.32 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.3206 |
| Heavy Atoms | 44 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 81689-98-7 |
|---|---|
| SMILES | CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=C(C6=NC(=C2)C(=C6C)C(C)O)C)N5)C)CCC(=O)OC)C4=N3)O)CC)C |
| InChIKey | KFGVHLJPXALCMG-FLOOPIEZSA-N |
Product Overview
Bacteriopheophorbide c methyl ester (CAS 81689-98-7), with molecular formula C36H42N4O4 and molecular weight 594.32 g/mol. IUPAC: methyl 3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-(1-hydroxyethyl)-12,17,19,21-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.
Chemical Property Profile of Bacteriopheophorbide c methyl ester
Property Insights of Bacteriopheophorbide c methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bacteriopheophorbide c methyl ester. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacteriopheophorbide c methyl ester. Following Lipinski's Rule of Five, Bacteriopheophorbide c methyl ester has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bacteriopheophorbide c methyl ester?
The CAS number of Bacteriopheophorbide c methyl ester is 81689-98-7.
What is the molecular formula of Bacteriopheophorbide c methyl ester?
The molecular formula of Bacteriopheophorbide c methyl ester is C36H42N4O4.
What is the molecular weight of Bacteriopheophorbide c methyl ester?
The molecular weight of Bacteriopheophorbide c methyl ester is 594.32 g/mol.
Where can I buy Bacteriopheophorbide c methyl ester?
You can request a quote for Bacteriopheophorbide c methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacteriopheophorbide c methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bacteriopheophorbide c methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.