Cholestan-5-ol-6-one
TL;DR: Cholestan-5-ol-6-one (CAS 1912-48-7) is a chemical compound with molecular formula C27H46O2 and molecular weight 402.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: 5-Hydroxycholestan-6-one, Cholestan-5-ol-6-one, 5-Hydroxycholestan-6-one #, 5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 1912-48-7 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCCC4)C)O)C |
| InChIKey | AYXDXVGGAIDTQI-UHFFFAOYSA-N |
Product Overview
Cholestan-5-ol-6-one (CAS 1912-48-7), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: 5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of Cholestan-5-ol-6-one
Property Insights of Cholestan-5-ol-6-one
The XLogP value of 8.1 indicates that Cholestan-5-ol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Cholestan-5-ol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholestan-5-ol-6-one 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 Cholestan-5-ol-6-one?
The CAS number of Cholestan-5-ol-6-one is 1912-48-7.
What is the molecular formula of Cholestan-5-ol-6-one?
The molecular formula of Cholestan-5-ol-6-one is C27H46O2.
What is the molecular weight of Cholestan-5-ol-6-one?
The molecular weight of Cholestan-5-ol-6-one is 402.35 g/mol.
Where can I buy Cholestan-5-ol-6-one?
You can request a quote for Cholestan-5-ol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestan-5-ol-6-one?
Yes, KEHONG BIO provides custom synthesis services for Cholestan-5-ol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.