![2-[(2-甲基苯基)甲基]丁二酸 structure](/static/products/112/112759-62-3.png)
2-[(2-甲基苯基)甲基]丁二酸
TL;DR: 2-[(2-甲基苯基)甲基]丁二酸 (CAS 112759-62-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-甲基苯基)甲基]丁二酸
2-[(2-methylphenyl)methyl]butanedioic acid
Also Known As: 2-Methylbenzylsuccinic acid, 2-[(2-methylphenyl)methyl]butanedioic acid, 2-(2-methylbenzyl)succinic acid, O-Methylbenzylsuccinic acid, (2-methylbenzyl)succinic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 112759-62-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CC(CC(=O)O)C(=O)O |
| InChIKey | WFWVINOHIVDSEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(2-甲基苯基)甲基]丁二酸 (CAS 112759-62-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-[(2-methylphenyl)methyl]butanedioic acid.
Chemical Property Profile of 2-[(2-甲基苯基)甲基]丁二酸
Property Insights of 2-[(2-甲基苯基)甲基]丁二酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-甲基苯基)甲基]丁二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-甲基苯基)甲基]丁二酸. Following Lipinski's Rule of Five, 2-[(2-甲基苯基)甲基]丁二酸 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 2-[(2-甲基苯基)甲基]丁二酸?
The CAS number of 2-[(2-甲基苯基)甲基]丁二酸 is 112759-62-3.
What is the molecular formula of 2-[(2-甲基苯基)甲基]丁二酸?
The molecular formula of 2-[(2-甲基苯基)甲基]丁二酸 is C12H14O4.
What is the molecular weight of 2-[(2-甲基苯基)甲基]丁二酸?
The molecular weight of 2-[(2-甲基苯基)甲基]丁二酸 is 222.09 g/mol.
Where can I buy 2-[(2-甲基苯基)甲基]丁二酸?
You can request a quote for 2-[(2-甲基苯基)甲基]丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-甲基苯基)甲基]丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-甲基苯基)甲基]丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.