4-Oxa-5alpha-cholestane-3-one
TL;DR: 4-Oxa-5alpha-cholestane-3-one (CAS 2061-74-7) is a chemical compound with molecular formula C26H44O2 and molecular weight 388.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
Also Known As: 4-Oxa-5alpha-cholestane-3-one, KST-1A2987, J2.992.850I, (4ar,4bs,6ar,7r,9as,9bs,11ar)-4a,6a-dimethyl-7-[(2r)-6-methylheptan-2-yl]tetradecahydroindeno[5,4-f]chromen-2(3h)-one, (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
| Molecular Formula | C26H44O2 |
|---|---|
| Molecular Weight | 388.33 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.33414 |
| Heavy Atoms | 28 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 2061-74-7 |
|---|---|
| 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(=O)O4)C)C |
| InChIKey | MQKKKKQKYWNSRB-RZAJJJKESA-N |
Product Overview
4-Oxa-5alpha-cholestane-3-one (CAS 2061-74-7), with molecular formula C26H44O2 and molecular weight 388.33 g/mol. IUPAC: (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one.
Chemical Property Profile of 4-Oxa-5alpha-cholestane-3-one
Property Insights of 4-Oxa-5alpha-cholestane-3-one
The XLogP value of 8.5 indicates that 4-Oxa-5alpha-cholestane-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Oxa-5alpha-cholestane-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxa-5alpha-cholestane-3-one has 0 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 4-Oxa-5alpha-cholestane-3-one?
The CAS number of 4-Oxa-5alpha-cholestane-3-one is 2061-74-7.
What is the molecular formula of 4-Oxa-5alpha-cholestane-3-one?
The molecular formula of 4-Oxa-5alpha-cholestane-3-one is C26H44O2.
What is the molecular weight of 4-Oxa-5alpha-cholestane-3-one?
The molecular weight of 4-Oxa-5alpha-cholestane-3-one is 388.33 g/mol.
Where can I buy 4-Oxa-5alpha-cholestane-3-one?
You can request a quote for 4-Oxa-5alpha-cholestane-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxa-5alpha-cholestane-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxa-5alpha-cholestane-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.