1-甲基环己-3-烯-1-甲酸
TL;DR: 1-甲基环己-3-烯-1-甲酸 (CAS 16646-42-7) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基环己-3-烯-1-甲酸
1-methylcyclohex-3-ene-1-carboxylic acid
Also Known As: 1-methylcyclohex-3-ene-1-carboxylic acid, 1-methylcyclohex-3-enecarboxylic acid, 1-Methyl-3-cyclohexenecarboxylic acid, 3-Cyclohexene-1-carboxylic acid, 1-methyl-, 1-Methyl-3-cyclohexene-1-carboxylic acid
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 16646-42-7 |
|---|---|
| SMILES | CC1(CCC=CC1)C(=O)O |
| InChIKey | FKOPGCJIAFSDAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基环己-3-烯-1-甲酸 (CAS 16646-42-7), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 1-methylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 1-甲基环己-3-烯-1-甲酸
Property Insights of 1-甲基环己-3-烯-1-甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基环己-3-烯-1-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 1-甲基环己-3-烯-1-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基环己-3-烯-1-甲酸 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 1-甲基环己-3-烯-1-甲酸?
The CAS number of 1-甲基环己-3-烯-1-甲酸 is 16646-42-7.
What is the molecular formula of 1-甲基环己-3-烯-1-甲酸?
The molecular formula of 1-甲基环己-3-烯-1-甲酸 is C8H12O2.
What is the molecular weight of 1-甲基环己-3-烯-1-甲酸?
The molecular weight of 1-甲基环己-3-烯-1-甲酸 is 140.08 g/mol.
Where can I buy 1-甲基环己-3-烯-1-甲酸?
You can request a quote for 1-甲基环己-3-烯-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基环己-3-烯-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基环己-3-烯-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.