Cobinamide dihydrate
TL;DR: Cobinamide dihydrate (CAS 13497-85-3) is a chemical compound with molecular formula C48H72CoN11O8+2 and molecular weight 989.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
Also Known As: cobinamide, Diaquocobinamide, Cobinamide dihydrate, cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide, cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
| Molecular Formula | C48H72CoN11O8+2 |
|---|---|
| Molecular Weight | 989.49 g/mol |
| LogP | 2.5176 |
| Topological Polar Surface Area | 359.05 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 989.48975 |
| Heavy Atoms | 68 |
| Complexity | 2317.8103 |
Chemical Identifiers
| CAS Number | 13497-85-3 |
|---|---|
| SMILES | C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)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)CCC(=O)NCC(C)O.[Co+3] |
Product Overview
Cobinamide dihydrate (CAS 13497-85-3), with molecular formula C48H72CoN11O8+2 and molecular weight 989.49 g/mol. IUPAC: cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide.
Chemical Property Profile of Cobinamide dihydrate
Property Insights of Cobinamide dihydrate
The XLogP value of 2.5176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cobinamide dihydrate. The TPSA of 359.05 Ų indicates high polarity, suggesting Cobinamide dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cobinamide dihydrate 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 Cobinamide dihydrate?
The CAS number of Cobinamide dihydrate is 13497-85-3.
What is the molecular formula of Cobinamide dihydrate?
The molecular formula of Cobinamide dihydrate is C48H72CoN11O8+2.
What is the molecular weight of Cobinamide dihydrate?
The molecular weight of Cobinamide dihydrate is 989.49 g/mol.
Where can I buy Cobinamide dihydrate?
You can request a quote for Cobinamide dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cobinamide dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Cobinamide dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.