5a-Cholestan-3-one oxime
TL;DR: 5a-Cholestan-3-one oxime (CAS 2735-21-9) is a chemical compound with molecular formula C27H47NO and molecular weight 401.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
Also Known As: 5a-Cholestan-3-one oxime, (NE)-N-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6
| Molecular Formula | C27H47NO |
|---|---|
| Molecular Weight | 401.37 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.36575 |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 2735-21-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=NO)C4)C)C |
| InChIKey | YBGNTBYIXGTDRY-UXIWKSIVSA-N |
Product Overview
5a-Cholestan-3-one oxime (CAS 2735-21-9), with molecular formula C27H47NO and molecular weight 401.37 g/mol. IUPAC: N-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine.
Chemical Property Profile of 5a-Cholestan-3-one oxime
Property Insights of 5a-Cholestan-3-one oxime
The XLogP value of 9.2 indicates that 5a-Cholestan-3-one oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 5a-Cholestan-3-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5a-Cholestan-3-one oxime has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5a-Cholestan-3-one oxime?
The CAS number of 5a-Cholestan-3-one oxime is 2735-21-9.
What is the molecular formula of 5a-Cholestan-3-one oxime?
The molecular formula of 5a-Cholestan-3-one oxime is C27H47NO.
What is the molecular weight of 5a-Cholestan-3-one oxime?
The molecular weight of 5a-Cholestan-3-one oxime is 401.37 g/mol.
Where can I buy 5a-Cholestan-3-one oxime?
You can request a quote for 5a-Cholestan-3-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5a-Cholestan-3-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 5a-Cholestan-3-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.