2-Amino-2-oxoethyl 3-amino-4-methylbenzoate
TL;DR: 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate (CAS 438595-66-5) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 3-amino-4-methylbenzoate
Also Known As: 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate, (2-amino-2-oxoethyl) 3-amino-4-methylbenzoate, Benzoic acid, 3-amino-4-methyl-, 2-amino-2-oxoethyl ester (9CI)
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 0.21932 |
| Topological Polar Surface Area | 95.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 401.65402 |
Chemical Identifiers
| CAS Number | 438595-66-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC(=O)N)N |
Product Overview
2-Amino-2-oxoethyl 3-amino-4-methylbenzoate (CAS 438595-66-5), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: (2-amino-2-oxoethyl) 3-amino-4-methylbenzoate.
Chemical Property Profile of 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate
Property Insights of 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate
The XLogP value of 0.21932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate. The TPSA of 95.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate. Following Lipinski's Rule of Five, 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate 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-Amino-2-oxoethyl 3-amino-4-methylbenzoate?
The CAS number of 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate is 438595-66-5.
What is the molecular formula of 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate?
The molecular formula of 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate is C10H12N2O3.
What is the molecular weight of 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate?
The molecular weight of 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate is 208.08 g/mol.
Where can I buy 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate?
You can request a quote for 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2-oxoethyl 3-amino-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.