缬草烯酸
TL;DR: 缬草烯酸 (CAS 3569-10-6) 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.
缬草烯酸
3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Also Known As: Valerenic acid
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 3569-10-6 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)C=C(C)C(=O)O |
| InChIKey | FEBNTWHYQKGEIQ-JIMOISOXSA-N |
Product Overview
缬草烯酸 (CAS 3569-10-6), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid.
Chemical Property Profile of 缬草烯酸
Property Insights of 缬草烯酸
The XLogP value of 3.2 indicates that 缬草烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 缬草烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 缬草烯酸 has 1 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 缬草烯酸?
The CAS number of 缬草烯酸 is 3569-10-6.
What is the molecular formula of 缬草烯酸?
The molecular formula of 缬草烯酸 is C15H22O2.
What is the molecular weight of 缬草烯酸?
The molecular weight of 缬草烯酸 is 234.16 g/mol.
Where can I buy 缬草烯酸?
You can request a quote for 缬草烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 缬草烯酸?
Yes, KEHONG BIO provides custom synthesis services for 缬草烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.