4-Cresolylcobamide
TL;DR: 4-Cresolylcobamide (CAS 119637-75-1) is a chemical compound with molecular formula C62H86CoN13O15P- and molecular weight 1342.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate;cobalt(3+);dicyanide
Also Known As: 4-Cresolylcobamide, p-Cscb, Cobinamide, dicyanide, dihydrogen phosphate (ester), inner salt, 3-ester with 4-methylphenyl alpha-D-ribofuranoside, ion(1-), 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphat, 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate; cobalt(3+); dicyanide
| Molecular Formula | C62H86CoN13O15P- |
|---|---|
| Molecular Weight | 1342.54 g/mol |
| LogP | 3.05376 |
| Topological Polar Surface Area | 503.91 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Exact Mass | 1342.5436 |
| Heavy Atoms | 92 |
| Complexity | 3251.141 |
Chemical Identifiers
| CAS Number | 119637-75-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2C(C(C(O2)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\3(C(C4C5C(C(C(=N5)/C(=C\6/C(C(C(=N6)/C=C\7/C(C(C(=N7)/C(=C3\[N-]4)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CCC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C)O.[C-]#N.[C-]#N.[Co+3] |
Product Overview
4-Cresolylcobamide (CAS 119637-75-1), with molecular formula C62H86CoN13O15P- and molecular weight 1342.54 g/mol. IUPAC: 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate;cobalt(3+);dicyanide.
Chemical Property Profile of 4-Cresolylcobamide
Property Insights of 4-Cresolylcobamide
The XLogP value of 3.05376 indicates that 4-Cresolylcobamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 503.91 Ų indicates high polarity, suggesting 4-Cresolylcobamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Cresolylcobamide has 9 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 4-Cresolylcobamide?
The CAS number of 4-Cresolylcobamide is 119637-75-1.
What is the molecular formula of 4-Cresolylcobamide?
The molecular formula of 4-Cresolylcobamide is C62H86CoN13O15P-.
What is the molecular weight of 4-Cresolylcobamide?
The molecular weight of 4-Cresolylcobamide is 1342.54 g/mol.
Where can I buy 4-Cresolylcobamide?
You can request a quote for 4-Cresolylcobamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cresolylcobamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cresolylcobamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.