2-Benzoylamino-succinic acid 4-methyl ester
TL;DR: 2-Benzoylamino-succinic acid 4-methyl ester (CAS 108541-05-5) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-4-methoxy-4-oxobutanoic acid
Also Known As: 2-benzamido-4-methoxy-4-oxobutanoic acid, (S)-2-Benzamido-4-methoxy-4-oxobutanoic acid, 2-Benzoylamino-succinic acid 4-methyl ester, Aspartic acid,N-benzoyl-, 4-methyl ester, (2S)-2-benzamido-4-methoxy-4-oxobutanoic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 108541-05-5 |
|---|---|
| SMILES | COC(=O)CC(C(=O)O)NC(=O)C1=CC=CC=C1 |
| InChIKey | GYTMPGSCDGAMQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoylamino-succinic acid 4-methyl ester (CAS 108541-05-5), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 2-benzamido-4-methoxy-4-oxobutanoic acid.
Chemical Property Profile of 2-Benzoylamino-succinic acid 4-methyl ester
Property Insights of 2-Benzoylamino-succinic acid 4-methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoylamino-succinic acid 4-methyl ester. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoylamino-succinic acid 4-methyl ester. Following Lipinski's Rule of Five, 2-Benzoylamino-succinic acid 4-methyl ester has 2 hydrogen bond donor(s) and 5 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-Benzoylamino-succinic acid 4-methyl ester?
The CAS number of 2-Benzoylamino-succinic acid 4-methyl ester is 108541-05-5.
What is the molecular formula of 2-Benzoylamino-succinic acid 4-methyl ester?
The molecular formula of 2-Benzoylamino-succinic acid 4-methyl ester is C12H13NO5.
What is the molecular weight of 2-Benzoylamino-succinic acid 4-methyl ester?
The molecular weight of 2-Benzoylamino-succinic acid 4-methyl ester is 251.08 g/mol.
Where can I buy 2-Benzoylamino-succinic acid 4-methyl ester?
You can request a quote for 2-Benzoylamino-succinic acid 4-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoylamino-succinic acid 4-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylamino-succinic acid 4-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.