紫苏酸
TL;DR: 紫苏酸 (CAS 7694-45-3) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫苏酸
4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
Also Known As: Perillic acid, (-)-perillic acid, Perillicacid, perillate, perillic acid(-)
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
| Melting Point | 60 °C |
Chemical Identifiers
| CAS Number | 7694-45-3 |
|---|---|
| SMILES | CC(=C)C1CCC(=CC1)C(=O)O |
| InChIKey | CDSMSBUVCWHORP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
紫苏酸 (CAS 7694-45-3), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid.
Chemical Property Profile of 紫苏酸
Property Insights of 紫苏酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 紫苏酸. With a topological polar surface area (TPSA) of 37.3 Ų, 紫苏酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 紫苏酸 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 紫苏酸?
The CAS number of 紫苏酸 is 7694-45-3.
What is the molecular formula of 紫苏酸?
The molecular formula of 紫苏酸 is C10H14O2.
What is the molecular weight of 紫苏酸?
The molecular weight of 紫苏酸 is 166.10 g/mol.
Where can I buy 紫苏酸?
You can request a quote for 紫苏酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫苏酸?
Yes, KEHONG BIO provides custom synthesis services for 紫苏酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.