Cholyltetraglycylhistamine
TL;DR: Cholyltetraglycylhistamine (CAS 16208-36-9) is a chemical compound with molecular formula C37H59N7O8 and molecular weight 729.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-[2-[[2-[[2-[[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-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: Cholyltetraglycylhistamine, C-(Gly)4-H, (4R)-N-[2-[[2-[[2-[[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-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, 3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid, 3alpha,7alpha,12alpha-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]-5beta-cholan-24-imidic acid
| Molecular Formula | C37H59N7O8 |
|---|---|
| Molecular Weight | 729.44 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 729.4425 |
| Heavy Atoms | 52 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 16208-36-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCC(=O)NCC(=O)NCC(=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 | BLDKLXOVVLBBIN-KZAFNTRISA-N |
Product Overview
Cholyltetraglycylhistamine (CAS 16208-36-9), with molecular formula C37H59N7O8 and molecular weight 729.44 g/mol. IUPAC: (4R)-N-[2-[[2-[[2-[[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-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 Cholyltetraglycylhistamine
Property Insights of Cholyltetraglycylhistamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cholyltetraglycylhistamine. The TPSA of 235.0 Ų indicates high polarity, suggesting Cholyltetraglycylhistamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cholyltetraglycylhistamine has 9 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholyltetraglycylhistamine?
The CAS number of Cholyltetraglycylhistamine is 16208-36-9.
What is the molecular formula of Cholyltetraglycylhistamine?
The molecular formula of Cholyltetraglycylhistamine is C37H59N7O8.
What is the molecular weight of Cholyltetraglycylhistamine?
The molecular weight of Cholyltetraglycylhistamine is 729.44 g/mol.
Where can I buy Cholyltetraglycylhistamine?
You can request a quote for Cholyltetraglycylhistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholyltetraglycylhistamine?
Yes, KEHONG BIO provides custom synthesis services for Cholyltetraglycylhistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.