3-Hydroxycholest-5-en-7-one
TL;DR: 3-Hydroxycholest-5-en-7-one (CAS 127684-08-6) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Also Known As: 7-Ketocholesterol, 3-Hydroxycholest-5-en-7-one, 7-Keto Cholesterol-d7, 5-Cholesten-3?-ol-7-one, 3beta-Hydroxy-5-cholesten-7-one
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 127684-08-6 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C |
| InChIKey | YIKKMWSQVKJCOP-UHFFFAOYSA-N |
Product Overview
3-Hydroxycholest-5-en-7-one (CAS 127684-08-6), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: 3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one.
Chemical Property Profile of 3-Hydroxycholest-5-en-7-one
Property Insights of 3-Hydroxycholest-5-en-7-one
The XLogP value of 7.5 indicates that 3-Hydroxycholest-5-en-7-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, 3-Hydroxycholest-5-en-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxycholest-5-en-7-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 3-Hydroxycholest-5-en-7-one?
The CAS number of 3-Hydroxycholest-5-en-7-one is 127684-08-6.
What is the molecular formula of 3-Hydroxycholest-5-en-7-one?
The molecular formula of 3-Hydroxycholest-5-en-7-one is C27H44O2.
What is the molecular weight of 3-Hydroxycholest-5-en-7-one?
The molecular weight of 3-Hydroxycholest-5-en-7-one is 400.33 g/mol.
Where can I buy 3-Hydroxycholest-5-en-7-one?
You can request a quote for 3-Hydroxycholest-5-en-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxycholest-5-en-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxycholest-5-en-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.