9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one
TL;DR: 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one (CAS 143625-39-2) is a chemical compound with molecular formula C27H46O4 and molecular weight 434.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8aS)-4,6-dihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
Also Known As: 9,11-Sthceo, 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one, 9,11-Seco-3beta,6alpha,11-trihydroxy-5alpha-cholest-7-en-9-one, (8aS)-4,6-dihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one, (8aS)-4,6-Dihydroxy-2-{(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl}-8a-methyl-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one
| Molecular Formula | C27H46O4 |
|---|---|
| Molecular Weight | 434.34 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.3396 |
| Heavy Atoms | 31 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 143625-39-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC([C@]1(C)CCO)C2=CC(C3CC(CC[C@@]3(C2=O)C)O)O |
| InChIKey | JBBOTAYOANLXIB-HDRUIAHASA-N |
Product Overview
9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one (CAS 143625-39-2), with molecular formula C27H46O4 and molecular weight 434.34 g/mol. IUPAC: (8aS)-4,6-dihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one.
Chemical Property Profile of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one
Property Insights of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one
The XLogP value of 5.6 indicates that 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one. Following Lipinski's Rule of Five, 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one?
The CAS number of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one is 143625-39-2.
What is the molecular formula of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one?
The molecular formula of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one is C27H46O4.
What is the molecular weight of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one?
The molecular weight of 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one is 434.34 g/mol.
Where can I buy 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one?
You can request a quote for 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one?
Yes, KEHONG BIO provides custom synthesis services for 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.