(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine
TL;DR: (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine (CAS 74927-72-3) is a chemical compound with molecular formula C15H11N3O7 and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid
Also Known As: DNBPG, (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine, D-3,5-Dinitrobenzoylleucine, (S)-2-(3,5-dinitrobenzamido)-2-phenylacetic acid, (R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine
| Molecular Formula | C15H11N3O7 |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 2.0587 |
| Topological Polar Surface Area | 152.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.0597 |
| Heavy Atoms | 25 |
| Complexity | 819.20844 |
Chemical Identifiers
| CAS Number | 74927-72-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@@H](C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine (CAS 74927-72-3), with molecular formula C15H11N3O7 and molecular weight 345.06 g/mol. IUPAC: (2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid.
Chemical Property Profile of (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine
Property Insights of (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine
The XLogP value of 2.0587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine. The TPSA of 152.68 Ų indicates high polarity, suggesting (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine has 2 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 (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine?
The CAS number of (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine is 74927-72-3.
What is the molecular formula of (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine?
The molecular formula of (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine is C15H11N3O7.
What is the molecular weight of (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine?
The molecular weight of (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine is 345.06 g/mol.
Where can I buy (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine?
You can request a quote for (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.