Chlorophyllin b
TL;DR: Chlorophyllin b (CAS 13962-39-5) is a chemical compound with molecular formula C34H32MgN4O7 and molecular weight 632.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium;(8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate;hydron
Also Known As: Chlorophyllin b, magnesium;(8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate;hydron, Magnesate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)- kappaN21,kappaN22,kappaN23,kappaN24)-, trihydrogen, (SP-4-2)-, magnesium; (8E)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-20-(2-oxido-2-oxoethyl)-18-(3-oxido-3-oxopropyl)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
| Molecular Formula | C34H32MgN4O7 |
|---|---|
| Molecular Weight | 632.21 g/mol |
| LogP | -1.31798 |
| Topological Polar Surface Area | 194.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 632.21216 |
| Heavy Atoms | 46 |
| Complexity | 1980.2021 |
Chemical Identifiers
| CAS Number | 13962-39-5 |
|---|---|
| SMILES | [H+].[H+].[H+].CCC\1=C2C=C3C(=C(C(=C(C4=NC(=CC5=NC(=CC(=N2)/C1=C/[O-])C(=C5C)C=C)C(C4CCC(=O)[O-])C)CC(=O)[O-])[N-]3)C(=O)[O-])C.[Mg+2] |
Product Overview
Chlorophyllin b (CAS 13962-39-5), with molecular formula C34H32MgN4O7 and molecular weight 632.21 g/mol. IUPAC: magnesium;(8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate;hydron.
Chemical Property Profile of Chlorophyllin b
Property Insights of Chlorophyllin b
The XLogP value of -1.31798 indicates that Chlorophyllin b is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.63 Ų indicates high polarity, suggesting Chlorophyllin b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorophyllin b has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorophyllin b?
The CAS number of Chlorophyllin b is 13962-39-5.
What is the molecular formula of Chlorophyllin b?
The molecular formula of Chlorophyllin b is C34H32MgN4O7.
What is the molecular weight of Chlorophyllin b?
The molecular weight of Chlorophyllin b is 632.21 g/mol.
Where can I buy Chlorophyllin b?
You can request a quote for Chlorophyllin b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorophyllin b?
Yes, KEHONG BIO provides custom synthesis services for Chlorophyllin b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.