hydrogenobyrinic acid
TL;DR: hydrogenobyrinic acid (CAS 23599-55-5) is a chemical compound with molecular formula C45H60N4O14 and molecular weight 880.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z,9Z,14Z)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid
Also Known As: hydrogenobyrinic acid, hydrogenobyrinate, EX-A12863, 3-[(5Z,9Z,14Z)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid, 2,7,18-Tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,17-corrintetrapropanoic acid
| Molecular Formula | C45H60N4O14 |
|---|---|
| Molecular Weight | 880.41 g/mol |
| LogP | 5.9194 |
| Topological Polar Surface Area | 310.21 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 880.4106 |
| Heavy Atoms | 63 |
| Complexity | 2216.893 |
Chemical Identifiers
| CAS Number | 23599-55-5 |
|---|---|
| SMILES | C/C/1=C/2\C(C(C(=N2)/C=C\3/C(C(/C(=C(/C4=NC(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)(C(C4CCC(=O)O)(C)CC(=O)O)C)\C)/N3)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O |
Product Overview
hydrogenobyrinic acid (CAS 23599-55-5), with molecular formula C45H60N4O14 and molecular weight 880.41 g/mol. IUPAC: 3-[(5Z,9Z,14Z)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid.
Chemical Property Profile of hydrogenobyrinic acid
Property Insights of hydrogenobyrinic acid
The XLogP value of 5.9194 indicates that hydrogenobyrinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 310.21 Ų indicates high polarity, suggesting hydrogenobyrinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, hydrogenobyrinic acid has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of hydrogenobyrinic acid?
The CAS number of hydrogenobyrinic acid is 23599-55-5.
What is the molecular formula of hydrogenobyrinic acid?
The molecular formula of hydrogenobyrinic acid is C45H60N4O14.
What is the molecular weight of hydrogenobyrinic acid?
The molecular weight of hydrogenobyrinic acid is 880.41 g/mol.
Where can I buy hydrogenobyrinic acid?
You can request a quote for hydrogenobyrinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hydrogenobyrinic acid?
Yes, KEHONG BIO provides custom synthesis services for hydrogenobyrinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.