![3-[(4-Nitrophenyl)sulfonyl]butanoic acid structure](/static/products/6311/6311-55-3.webp)
3-[(4-Nitrophenyl)sulfonyl]butanoic acid
TL;DR: 3-[(4-Nitrophenyl)sulfonyl]butanoic acid (CAS 6311-55-3) is a chemical compound with molecular formula C10H11NO6S and molecular weight 273.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)sulfonylbutanoic acid
Also Known As: 3-(4-nitrophenyl)sulfonylbutanoic acid, 3-[(4-nitrophenyl)sulfonyl]butanoic acid, Butyric acid, 3-(p-nitro-phenylsulfonyl)-, 3-(4-Nitrobenzene-1-sulfonyl)butanoic acid, 6-AMINO-5-NITROSO-2-THIOURACIL AMMONIUM SALT
| Molecular Formula | C10H11NO6S |
|---|---|
| Molecular Weight | 273.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0307 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 6311-55-3 |
|---|---|
| SMILES | CC(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | WQIRLCXVDGJNTO-UHFFFAOYSA-N |
Product Overview
3-[(4-Nitrophenyl)sulfonyl]butanoic acid (CAS 6311-55-3), with molecular formula C10H11NO6S and molecular weight 273.03 g/mol. IUPAC: 3-(4-nitrophenyl)sulfonylbutanoic acid.
Chemical Property Profile of 3-[(4-Nitrophenyl)sulfonyl]butanoic acid
Property Insights of 3-[(4-Nitrophenyl)sulfonyl]butanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Nitrophenyl)sulfonyl]butanoic acid. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)sulfonyl]butanoic acid. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)sulfonyl]butanoic acid has 1 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 3-[(4-Nitrophenyl)sulfonyl]butanoic acid?
The CAS number of 3-[(4-Nitrophenyl)sulfonyl]butanoic acid is 6311-55-3.
What is the molecular formula of 3-[(4-Nitrophenyl)sulfonyl]butanoic acid?
The molecular formula of 3-[(4-Nitrophenyl)sulfonyl]butanoic acid is C10H11NO6S.
What is the molecular weight of 3-[(4-Nitrophenyl)sulfonyl]butanoic acid?
The molecular weight of 3-[(4-Nitrophenyl)sulfonyl]butanoic acid is 273.03 g/mol.
Where can I buy 3-[(4-Nitrophenyl)sulfonyl]butanoic acid?
You can request a quote for 3-[(4-Nitrophenyl)sulfonyl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Nitrophenyl)sulfonyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)sulfonyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.