3-甲基马尿酸
TL;DR: 3-甲基马尿酸 (CAS 27115-49-7) 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.
3-甲基马尿酸
2-[(3-methylbenzoyl)amino]acetic acid
Also Known As: 3-Methylhippuric acid, m-Toluric acid, m-Methylhippuric acid, N-(m-Toluoyl)glycine, N-(3-Methylbenzoyl)glycine
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.6 |
| 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 |
Chemical Identifiers
| CAS Number | 27115-49-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC(=O)O |
| InChIKey | YKAKNMHEIJUKEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基马尿酸 (CAS 27115-49-7), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 2-[(3-methylbenzoyl)amino]acetic acid.
Chemical Property Profile of 3-甲基马尿酸
Property Insights of 3-甲基马尿酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基马尿酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-甲基马尿酸. Following Lipinski's Rule of Five, 3-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 3-甲基马尿酸?
The CAS number of 3-甲基马尿酸 is 27115-49-7.
What is the molecular formula of 3-甲基马尿酸?
The molecular formula of 3-甲基马尿酸 is C10H11NO3.
What is the molecular weight of 3-甲基马尿酸?
The molecular weight of 3-甲基马尿酸 is 193.07 g/mol.
Where can I buy 3-甲基马尿酸?
You can request a quote for 3-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 3-甲基马尿酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基马尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.