3,5-Dinitrobenzoylglycine
TL;DR: 3,5-Dinitrobenzoylglycine (CAS 20133-67-9) is a chemical compound with molecular formula C9H7N3O7 and molecular weight 269.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dinitrobenzoyl)amino]acetic acid
Also Known As: n-(3,5-dinitrobenzoyl)glycine, DNB-Gly, 3,5-dinitrobenzoylglycine, 2-(3,5-dinitrobenzamido)acetic acid, 2-[(3,5-dinitrobenzoyl)amino]acetic acid
| Molecular Formula | C9H7N3O7 |
|---|---|
| Molecular Weight | 269.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0284 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 20133-67-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)O |
| InChIKey | PJZXWXFIUIDMBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitrobenzoylglycine (CAS 20133-67-9), with molecular formula C9H7N3O7 and molecular weight 269.03 g/mol. IUPAC: 2-[(3,5-dinitrobenzoyl)amino]acetic acid.
Chemical Property Profile of 3,5-Dinitrobenzoylglycine
Property Insights of 3,5-Dinitrobenzoylglycine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrobenzoylglycine. The TPSA of 158.0 Ų indicates high polarity, suggesting 3,5-Dinitrobenzoylglycine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitrobenzoylglycine has 2 hydrogen bond donor(s) and 7 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 3,5-Dinitrobenzoylglycine?
The CAS number of 3,5-Dinitrobenzoylglycine is 20133-67-9.
What is the molecular formula of 3,5-Dinitrobenzoylglycine?
The molecular formula of 3,5-Dinitrobenzoylglycine is C9H7N3O7.
What is the molecular weight of 3,5-Dinitrobenzoylglycine?
The molecular weight of 3,5-Dinitrobenzoylglycine is 269.03 g/mol.
Where can I buy 3,5-Dinitrobenzoylglycine?
You can request a quote for 3,5-Dinitrobenzoylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitrobenzoylglycine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrobenzoylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.