Cholylhistamine
TL;DR: Cholylhistamine (CAS 39897-14-8) is a chemical compound with molecular formula C29H47N3O4 and molecular weight 501.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-[2-(1H-imidazol-5-yl)ethyl]-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: Cholylhistamine, Histaminamid v. Cholsaeure, KST-1A4559, (3, A,5
| Molecular Formula | C29H47N3O4 |
|---|---|
| Molecular Weight | 501.36 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.35666 |
| Heavy Atoms | 36 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 39897-14-8 |
|---|---|
| SMILES | C[C@H](CCC(=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 | RZLDSBTXXJRIRU-OLVWRROUSA-N |
Product Overview
Cholylhistamine (CAS 39897-14-8), with molecular formula C29H47N3O4 and molecular weight 501.36 g/mol. IUPAC: (4R)-N-[2-(1H-imidazol-5-yl)ethyl]-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 Cholylhistamine
Property Insights of Cholylhistamine
The XLogP value of 3.5 indicates that Cholylhistamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholylhistamine. Following Lipinski's Rule of Five, Cholylhistamine has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholylhistamine?
The CAS number of Cholylhistamine is 39897-14-8.
What is the molecular formula of Cholylhistamine?
The molecular formula of Cholylhistamine is C29H47N3O4.
What is the molecular weight of Cholylhistamine?
The molecular weight of Cholylhistamine is 501.36 g/mol.
Where can I buy Cholylhistamine?
You can request a quote for Cholylhistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholylhistamine?
Yes, KEHONG BIO provides custom synthesis services for Cholylhistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.