2-甲基马尿酸
TL;DR: 2-甲基马尿酸 (CAS 42013-20-7) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基马尿酸
2-[(2-methylbenzoyl)amino]acetic acid
Also Known As: 2-Methylhippuric acid, o-Toluric acid, N-(o-Toluoyl)glycine, o-Methylhippuric acid, 2-(2-Methylbenzamido)acetic acid
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| Solubility | >29 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 42013-20-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCC(=O)O |
| InChIKey | YOEBAVRJHRCKRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基马尿酸 (CAS 42013-20-7), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 2-[(2-methylbenzoyl)amino]acetic acid.
Chemical Property Profile of 2-甲基马尿酸
Property Insights of 2-甲基马尿酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基马尿酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基马尿酸. Following Lipinski's Rule of Five, 2-甲基马尿酸 has 2 hydrogen bond donor(s) and 3 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-甲基马尿酸?
The CAS number of 2-甲基马尿酸 is 42013-20-7.
What is the molecular formula of 2-甲基马尿酸?
The molecular formula of 2-甲基马尿酸 is C10H11NO3.
What is the molecular weight of 2-甲基马尿酸?
The molecular weight of 2-甲基马尿酸 is 193.07 g/mol.
Where can I buy 2-甲基马尿酸?
You can request a quote for 2-甲基马尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基马尿酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基马尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.