(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 184.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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
Technical Specifications
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.07356 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07356 Da |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
| SMILES | CC1=CC[C@@H]([C@H](C1)C(=O)O)C(=O)O |
| InChIKey | YZPUIHVHPSUCHD-BQBZGAKWSA-N |
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 0.4 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 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 184.07356 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid?
Yes, CoreyChem 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.