Hydroxycobalamin HCL
TL;DR: Hydroxycobalamin HCL (CAS 78091-12-0) is a chemical compound with molecular formula C62H91ClCoN13O15P+ and molecular weight 1382.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl phosphate;hydroxide;hydrochloride
Also Known As: Hydroxycobalamin HCL, Hydroxocobalamin hydrochloride, cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl phosphate;hydroxide;hydrochloride, 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex, Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3), hydrochloride
| Molecular Formula | C62H91ClCoN13O15P+ |
|---|---|
| Molecular Weight | 1382.55 g/mol |
| LogP | 2.77374 |
| Topological Polar Surface Area | 492.85 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Exact Mass | 1382.5515 |
| Heavy Atoms | 93 |
| Complexity | 3554.815 |
Chemical Identifiers
| CAS Number | 78091-12-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(/C(=C/C8=N/C(=C(\C4=N5)/C)/C(C8(C)C)CCC(=O)N)/N7)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[OH-].Cl.[Co+3] |
Product Overview
Hydroxycobalamin HCL (CAS 78091-12-0), with molecular formula C62H91ClCoN13O15P+ and molecular weight 1382.55 g/mol. IUPAC: cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl phosphate;hydroxide;hydrochloride.
Chemical Property Profile of Hydroxycobalamin HCL
Property Insights of Hydroxycobalamin HCL
The XLogP value of 2.77374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxycobalamin HCL. The TPSA of 492.85 Ų indicates high polarity, suggesting Hydroxycobalamin HCL may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxycobalamin HCL has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxycobalamin HCL?
The CAS number of Hydroxycobalamin HCL is 78091-12-0.
What is the molecular formula of Hydroxycobalamin HCL?
The molecular formula of Hydroxycobalamin HCL is C62H91ClCoN13O15P+.
What is the molecular weight of Hydroxycobalamin HCL?
The molecular weight of Hydroxycobalamin HCL is 1382.55 g/mol.
Where can I buy Hydroxycobalamin HCL?
You can request a quote for Hydroxycobalamin HCL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxycobalamin HCL?
Yes, KEHONG BIO provides custom synthesis services for Hydroxycobalamin HCL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.