N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine
TL;DR: N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine (CAS 15465-08-4) is a chemical compound with molecular formula C9H10N2O6S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-nitrophenyl)sulfonylamino]propanoic acid
Also Known As: 3-(2-Nitro-benzenesulfonylamino)-propionic acid, BAS 01262762, N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine, n-[(2-nitrophenyl)sulfonyl]-, A-alanine
| Molecular Formula | C9H10N2O6S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.02597 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 15465-08-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCC(=O)O |
| InChIKey | GITSWRINOGOGRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine (CAS 15465-08-4), with molecular formula C9H10N2O6S and molecular weight 274.03 g/mol. IUPAC: 3-[(2-nitrophenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine
Property Insights of N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine. Following Lipinski's Rule of Five, N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine 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 N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine?
The CAS number of N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine is 15465-08-4.
What is the molecular formula of N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine?
The molecular formula of N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine is C9H10N2O6S.
What is the molecular weight of N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine?
The molecular weight of N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine is 274.03 g/mol.
Where can I buy N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine?
You can request a quote for N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.