Cholylglycylhistamine
TL;DR: Cholylglycylhistamine (CAS 61601-56-7) is a chemical compound with molecular formula C31H50N4O5 and molecular weight 558.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
Also Known As: Cholylglycylhistamine, (4R)-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide, Cholan-24-amide, 3,7,12-trihydroxy-N-(2-((2-(1H-imidazol-4-yl)ethyl)amino)-2-oxoethyl)-, (3alpha,5beta,7alpha,12alpha)-, 3,7,12-Trihydroxy-N-(2-hydroxy-2-{[2-(1H-imidazol-5-yl)ethyl]imino}ethyl)cholan-24-imidic acid, 3alpha,7alpha,12alpha-Trihydroxy-N-(2-hydroxy-2-{[2-(1H-imidazol-5-yl)ethyl]imino}ethyl)-5beta-cholan-24-imidic acid
| Molecular Formula | C31H50N4O5 |
|---|---|
| Molecular Weight | 558.38 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 558.3781 |
| Heavy Atoms | 40 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 61601-56-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCC(=O)NCCC1=CN=CN1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C |
| InChIKey | CVPMVIIGWUJJCW-NISYCDKASA-N |
Product Overview
Cholylglycylhistamine (CAS 61601-56-7), with molecular formula C31H50N4O5 and molecular weight 558.38 g/mol. IUPAC: (4R)-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide.
Chemical Property Profile of Cholylglycylhistamine
Property Insights of Cholylglycylhistamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cholylglycylhistamine. The TPSA of 148.0 Ų indicates high polarity, suggesting Cholylglycylhistamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cholylglycylhistamine has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholylglycylhistamine?
The CAS number of Cholylglycylhistamine is 61601-56-7.
What is the molecular formula of Cholylglycylhistamine?
The molecular formula of Cholylglycylhistamine is C31H50N4O5.
What is the molecular weight of Cholylglycylhistamine?
The molecular weight of Cholylglycylhistamine is 558.38 g/mol.
Where can I buy Cholylglycylhistamine?
You can request a quote for Cholylglycylhistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholylglycylhistamine?
Yes, KEHONG BIO provides custom synthesis services for Cholylglycylhistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.