Sirohydrochlorin
TL;DR: Sirohydrochlorin (CAS 65207-12-7) is a chemical compound with molecular formula C42H46N4O16 and molecular weight 862.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3S,7S,8S)-7,13,17-tris(2-carboxyethyl)-3,8,12,18-tetrakis(carboxymethyl)-3,8-dimethyl-2,7,23,24-tetrahydroporphyrin-2-yl]propanoic acid
Also Known As: sirohydrochlorin, siroheme, J3.404.714F, 3-[(2S,3S,7S,8S)-7,13,17-tris(2-carboxyethyl)-3,8,12,18-tetrakis(carboxymethyl)-3,8-dimethyl-2,7,23,24-tetrahydroporphyrin-2-yl]propanoic acid, (2S)-2alpha,7alpha-Dimethyl-2,3beta,7,8beta-tetrahydrouroporphyrin III
| Molecular Formula | C42H46N4O16 |
|---|---|
| Molecular Weight | 862.29 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 356.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 862.2909 |
| Heavy Atoms | 62 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 65207-12-7 |
|---|---|
| SMILES | C[C@@]1([C@@H](C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O |
| InChIKey | AVBHZKNQGDKVEA-ZTKUHGNGSA-N |
Product Overview
Sirohydrochlorin (CAS 65207-12-7), with molecular formula C42H46N4O16 and molecular weight 862.29 g/mol. IUPAC: 3-[(2S,3S,7S,8S)-7,13,17-tris(2-carboxyethyl)-3,8,12,18-tetrakis(carboxymethyl)-3,8-dimethyl-2,7,23,24-tetrahydroporphyrin-2-yl]propanoic acid.
Chemical Property Profile of Sirohydrochlorin
Property Insights of Sirohydrochlorin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sirohydrochlorin. The TPSA of 356.0 Ų indicates high polarity, suggesting Sirohydrochlorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sirohydrochlorin has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sirohydrochlorin?
The CAS number of Sirohydrochlorin is 65207-12-7.
What is the molecular formula of Sirohydrochlorin?
The molecular formula of Sirohydrochlorin is C42H46N4O16.
What is the molecular weight of Sirohydrochlorin?
The molecular weight of Sirohydrochlorin is 862.29 g/mol.
Where can I buy Sirohydrochlorin?
You can request a quote for Sirohydrochlorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sirohydrochlorin?
Yes, KEHONG BIO provides custom synthesis services for Sirohydrochlorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.