甲基鈷胺素
TL;DR: 甲基鈷胺素 (CAS 140224-22-2) is a chemical compound with molecular formula C63H91CoN13O14P and molecular weight 1343.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基鈷胺素
carbanide;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,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-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate
Also Known As: Mecobalamin, methylcobalamin, Methycobal, Cobametin, Vancomin
| Molecular Formula | C63H91CoN13O14P |
|---|---|
| Molecular Weight | 1343.59 g/mol |
| LogP | 3.76313 |
| Topological Polar Surface Area | 464.92 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1343.5878 |
| Heavy Atoms | 92 |
| Complexity | 3544.7327 |
Chemical Identifiers
| CAS Number | 140224-22-2 |
|---|---|
| SMILES | [CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3] |
Product Overview
甲基鈷胺素 (CAS 140224-22-2), with molecular formula C63H91CoN13O14P and molecular weight 1343.59 g/mol. IUPAC: carbanide;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,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-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate.
Chemical Property Profile of 甲基鈷胺素
Property Insights of 甲基鈷胺素
The XLogP value of 3.76313 indicates that 甲基鈷胺素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 464.92 Ų indicates high polarity, suggesting 甲基鈷胺素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甲基鈷胺素 has 9 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 甲基鈷胺素?
The CAS number of 甲基鈷胺素 is 140224-22-2.
What is the molecular formula of 甲基鈷胺素?
The molecular formula of 甲基鈷胺素 is C63H91CoN13O14P.
What is the molecular weight of 甲基鈷胺素?
The molecular weight of 甲基鈷胺素 is 1343.59 g/mol.
Where can I buy 甲基鈷胺素?
You can request a quote for 甲基鈷胺素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基鈷胺素?
Yes, KEHONG BIO provides custom synthesis services for 甲基鈷胺素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.