贝壳杉酸
TL;DR: 贝壳杉酸 (CAS 640-28-8) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
贝壳杉酸
5-(4-carboxy-3-methylbut-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Also Known As: Agathic acid
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 640-28-8 |
|---|---|
| SMILES | CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C |
| InChIKey | QYCOHMYDSOZCQD-UHFFFAOYSA-N |
Product Overview
贝壳杉酸 (CAS 640-28-8), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 5-(4-carboxy-3-methylbut-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid.
Chemical Property Profile of 贝壳杉酸
Property Insights of 贝壳杉酸
The XLogP value of 4.8 indicates that 贝壳杉酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 贝壳杉酸. Following Lipinski's Rule of Five, 贝壳杉酸 has 2 hydrogen bond donor(s) and 4 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 贝壳杉酸?
The CAS number of 贝壳杉酸 is 640-28-8.
What is the molecular formula of 贝壳杉酸?
The molecular formula of 贝壳杉酸 is C20H30O4.
What is the molecular weight of 贝壳杉酸?
The molecular weight of 贝壳杉酸 is 334.21 g/mol.
Where can I buy 贝壳杉酸?
You can request a quote for 贝壳杉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贝壳杉酸?
Yes, KEHONG BIO provides custom synthesis services for 贝壳杉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.