5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid
TL;DR: 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid (CAS 83198-62-3) is a chemical compound with molecular formula C12H13N3O7 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-amino-4-carboxybutanoyl)amino]-2-nitrobenzoic acid
Also Known As: Not Available, 2-Naphthalenol, 6-bromo-, ??GT, (S)-5-[(4-AMINO-4-CARBOXY-1-OXOBUTYL)AMINO]-2-NITROBENZOIC ACID, 5-(4-AMINO-4-CARBOXYBUTANAMIDO)-2-NITROBENZOIC ACID
| Molecular Formula | C12H13N3O7 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 0.4236 |
| Topological Polar Surface Area | 172.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.07535 |
| Heavy Atoms | 22 |
| Complexity | 629.14594 |
Chemical Identifiers
| CAS Number | 83198-62-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)C(=O)O)[N+](=O)[O-] |
Product Overview
5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid (CAS 83198-62-3), with molecular formula C12H13N3O7 and molecular weight 311.08 g/mol. IUPAC: 5-[(4-amino-4-carboxybutanoyl)amino]-2-nitrobenzoic acid.
Chemical Property Profile of 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid
Property Insights of 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid
The XLogP value of 0.4236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid. The TPSA of 172.86 Ų indicates high polarity, suggesting 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid has 4 hydrogen bond donor(s) and 6 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 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid?
The CAS number of 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid is 83198-62-3.
What is the molecular formula of 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid?
The molecular formula of 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid is C12H13N3O7.
What is the molecular weight of 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid?
The molecular weight of 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid is 311.08 g/mol.
Where can I buy 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid?
You can request a quote for 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Amino-4-carboxybutanamido)-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.