Chenooxazoline
TL;DR: Chenooxazoline (CAS 85221-19-8) is a chemical compound with molecular formula C28H47NO3 and molecular weight 445.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,7S,10S,13R,17R)-17-[(2R)-butan-2-yl]-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,7-diol
Also Known As: Chenooxazoline, Ursodeoxyoxazoline, KST-1A8566, 24-Norcholane-3,7-diol, 23-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (3alpha,5beta,7alpha)-, (3r,5r,7s,10s,13r,17r)-17-[(2r)-butan-2-yl]-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol(non-preferred name)
| Molecular Formula | C28H47NO3 |
|---|---|
| Molecular Weight | 445.36 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.3556 |
| Heavy Atoms | 32 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 85221-19-8 |
|---|---|
| SMILES | CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@@](C4)(C5=NC(CO5)(C)C)O)C)O)C |
| InChIKey | WSLTVABVMRHQJH-YHVCFSJVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chenooxazoline (CAS 85221-19-8), with molecular formula C28H47NO3 and molecular weight 445.36 g/mol. IUPAC: (3R,5R,7S,10S,13R,17R)-17-[(2R)-butan-2-yl]-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,7-diol.
Chemical Property Profile of Chenooxazoline
Property Insights of Chenooxazoline
The XLogP value of 6.1 indicates that Chenooxazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Chenooxazoline. Following Lipinski's Rule of Five, Chenooxazoline has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chenooxazoline?
The CAS number of Chenooxazoline is 85221-19-8.
What is the molecular formula of Chenooxazoline?
The molecular formula of Chenooxazoline is C28H47NO3.
What is the molecular weight of Chenooxazoline?
The molecular weight of Chenooxazoline is 445.36 g/mol.
Where can I buy Chenooxazoline?
You can request a quote for Chenooxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chenooxazoline?
Yes, KEHONG BIO provides custom synthesis services for Chenooxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.