(1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
TL;DR: (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid (CAS 134939-00-7) 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.
(1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
Also Known As: KST-1A1161, (1s,2s)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.1281 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 266.78827 |
Chemical Identifiers
| CAS Number | 134939-00-7 |
|---|---|
| SMILES | CC1=CC[C@@H]([C@H](C1)C(=O)O)C(=O)O |
Product Overview
(1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid (CAS 134939-00-7), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid.
Chemical Property Profile of (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
Property Insights of (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
The XLogP value of 1.1281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid has 2 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 (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid?
The CAS number of (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid is 134939-00-7.
What is the molecular formula of (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid?
The molecular formula of (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid is C9H12O4.
What is the molecular weight of (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid?
The molecular weight of (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid is 184.07 g/mol.
Where can I buy (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid?
You can request a quote for (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.