3-Hydroxycholest-8-en-7-one
TL;DR: 3-Hydroxycholest-8-en-7-one (CAS 71411-64-8) 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.
(3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Also Known As: 3-HCEO, 3-Hydroxycholest-8-en-7-one, KST-1A7752, 3-Hydroxy-5alpha-cholest-8-en-7-one, (1)-4-Bromo-alpha-propylbenzyl alcohol
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 7.1 |
| 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 | 676.0 |
Chemical Identifiers
| CAS Number | 71411-64-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | ZKZOFLZBQASYNQ-MXCCHVFPSA-N |
Product Overview
3-Hydroxycholest-8-en-7-one (CAS 71411-64-8), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: (3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one.
Chemical Property Profile of 3-Hydroxycholest-8-en-7-one
Property Insights of 3-Hydroxycholest-8-en-7-one
The XLogP value of 7.1 indicates that 3-Hydroxycholest-8-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-8-en-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxycholest-8-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-8-en-7-one?
The CAS number of 3-Hydroxycholest-8-en-7-one is 71411-64-8.
What is the molecular formula of 3-Hydroxycholest-8-en-7-one?
The molecular formula of 3-Hydroxycholest-8-en-7-one is C27H44O2.
What is the molecular weight of 3-Hydroxycholest-8-en-7-one?
The molecular weight of 3-Hydroxycholest-8-en-7-one is 400.33 g/mol.
Where can I buy 3-Hydroxycholest-8-en-7-one?
You can request a quote for 3-Hydroxycholest-8-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-8-en-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxycholest-8-en-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.