![3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid structure](/static/products/857/857041-86-2.png)
3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid
TL;DR: 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid (CAS 857041-86-2) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid
Also Known As: 3-[4-(propan-2-yl)benzenesulfonamido]propanoic acid, 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic Acid, 3-{[(4-isopropylphenyl)sulfonyl]amino}propanoic acid, N-[(4-isopropylphenyl)sulfonyl]-beta-alanine, AQ-390/43363902
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.563 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 505.38388 |
Chemical Identifiers
| CAS Number | 857041-86-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O |
Product Overview
3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid (CAS 857041-86-2), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid
Property Insights of 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid
The XLogP value of 1.563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid. Following Lipinski's Rule of Five, 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid has 2 hydrogen bond donor(s) and 3 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-(Propan-2-yl)benzenesulfonamido]propanoic acid?
The CAS number of 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid is 857041-86-2.
What is the molecular formula of 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid?
The molecular formula of 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid is C12H17NO4S.
What is the molecular weight of 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid?
The molecular weight of 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid is 271.09 g/mol.
Where can I buy 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid?
You can request a quote for 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic 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-(Propan-2-yl)benzenesulfonamido]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Propan-2-yl)benzenesulfonamido]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.