Boscialin
TL;DR: Boscialin (CAS 129277-03-8) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one
Also Known As: BOSCIALIN, (-)-Boscialin, copper thiophene-2-carboxylate, HY-N10102, (E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 1.6797 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 306.29956 |
Chemical Identifiers
| CAS Number | 129277-03-8 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](CC([C@]1(/C=C/C(=O)C)O)(C)C)O |
Product Overview
Boscialin (CAS 129277-03-8), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: (E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one.
Chemical Property Profile of Boscialin
Property Insights of Boscialin
The XLogP value of 1.6797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boscialin. With a topological polar surface area (TPSA) of 57.53 Ų, Boscialin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Boscialin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boscialin?
The CAS number of Boscialin is 129277-03-8.
What is the molecular formula of Boscialin?
The molecular formula of Boscialin is C13H22O3.
What is the molecular weight of Boscialin?
The molecular weight of Boscialin is 226.16 g/mol.
Where can I buy Boscialin?
You can request a quote for Boscialin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boscialin?
Yes, KEHONG BIO provides custom synthesis services for Boscialin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.