木香烃内酯
TL;DR: 木香烃内酯 (CAS 553-21-9) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
木香烃内酯
(3aS,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Also Known As: Costunolide, Costundide, (+)-costunolide, (3aS,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 553-21-9 |
|---|---|
| SMILES | CC1=CCCC(=C[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C |
| InChIKey | HRYLQFBHBWLLLL-UONOGXRCSA-N |
Product Overview
木香烃内酯 (CAS 553-21-9), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (3aS,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one.
Chemical Property Profile of 木香烃内酯
Property Insights of 木香烃内酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 木香烃内酯. With a topological polar surface area (TPSA) of 26.3 Ų, 木香烃内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 木香烃内酯 has 0 hydrogen bond donor(s) and 2 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 木香烃内酯?
The CAS number of 木香烃内酯 is 553-21-9.
What is the molecular formula of 木香烃内酯?
The molecular formula of 木香烃内酯 is C15H20O2.
What is the molecular weight of 木香烃内酯?
The molecular weight of 木香烃内酯 is 232.15 g/mol.
Where can I buy 木香烃内酯?
You can request a quote for 木香烃内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 木香烃内酯?
Yes, KEHONG BIO provides custom synthesis services for 木香烃内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.