3-甲基环己-4-烯-1,2-二甲酸
TL;DR: 3-甲基环己-4-烯-1,2-二甲酸 (CAS 15941-50-1) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基环己-4-烯-1,2-二甲酸
3-methylcyclohex-4-ene-1,2-dicarboxylic acid
Also Known As: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid, 3-Methyl-1,2,3,6-tetrahydrophthalic acid, 3-Methyl-4-cyclohexene-1,2-dicarboxylic acid, 4-Cyclohexene-1,2-dicarboxylic acid, 3-methyl-, 3-methylcyclohex-4-ene-1,2-dicarboxylic
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 15941-50-1 |
|---|---|
| SMILES | CC1C=CCC(C1C(=O)O)C(=O)O |
| InChIKey | ZPRXNOLDOXHXIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基环己-4-烯-1,2-二甲酸 (CAS 15941-50-1), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid.
Chemical Property Profile of 3-甲基环己-4-烯-1,2-二甲酸
Property Insights of 3-甲基环己-4-烯-1,2-二甲酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基环己-4-烯-1,2-二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-甲基环己-4-烯-1,2-二甲酸. Following Lipinski's Rule of Five, 3-甲基环己-4-烯-1,2-二甲酸 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 3-甲基环己-4-烯-1,2-二甲酸?
The CAS number of 3-甲基环己-4-烯-1,2-二甲酸 is 15941-50-1.
What is the molecular formula of 3-甲基环己-4-烯-1,2-二甲酸?
The molecular formula of 3-甲基环己-4-烯-1,2-二甲酸 is C9H12O4.
What is the molecular weight of 3-甲基环己-4-烯-1,2-二甲酸?
The molecular weight of 3-甲基环己-4-烯-1,2-二甲酸 is 184.07 g/mol.
Where can I buy 3-甲基环己-4-烯-1,2-二甲酸?
You can request a quote for 3-甲基环己-4-烯-1,2-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基环己-4-烯-1,2-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基环己-4-烯-1,2-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.