木香酸
TL;DR: 木香酸 (CAS 3650-43-9) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
木香酸
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Also Known As: Costic acid, beta-Costic acid, Costus acid, Cosstic acid, beta-Costicacid
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.7899 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 369.1181 |
Chemical Identifiers
| CAS Number | 3650-43-9 |
|---|---|
| SMILES | C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(=O)O |
Product Overview
木香酸 (CAS 3650-43-9), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid.
Chemical Property Profile of 木香酸
Property Insights of 木香酸
The XLogP value of 3.7899 indicates that 木香酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 木香酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 木香酸 has 1 hydrogen bond donor(s) and 1 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 木香酸?
The CAS number of 木香酸 is 3650-43-9.
What is the molecular formula of 木香酸?
The molecular formula of 木香酸 is C15H22O2.
What is the molecular weight of 木香酸?
The molecular weight of 木香酸 is 234.16 g/mol.
Where can I buy 木香酸?
You can request a quote for 木香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 木香酸?
Yes, KEHONG BIO provides custom synthesis services for 木香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.