Pentan-2-yl 4-aminobenzenesulfonate
TL;DR: Pentan-2-yl 4-aminobenzenesulfonate (CAS 91340-92-0) is a chemical compound with molecular formula C11H17NO3S and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl 4-aminobenzenesulfonate
Also Known As: pentan-2-yl 4-aminobenzenesulfonate, Pentan-2-yl 4-aminobenzene-1-sulfonate
| Molecular Formula | C11H17NO3S |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.09291 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 91340-92-0 |
|---|---|
| SMILES | CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)N |
| InChIKey | UUAAITAGCKCEJF-UHFFFAOYSA-N |
Product Overview
Pentan-2-yl 4-aminobenzenesulfonate (CAS 91340-92-0), with molecular formula C11H17NO3S and molecular weight 243.09 g/mol. IUPAC: pentan-2-yl 4-aminobenzenesulfonate.
Chemical Property Profile of Pentan-2-yl 4-aminobenzenesulfonate
Property Insights of Pentan-2-yl 4-aminobenzenesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentan-2-yl 4-aminobenzenesulfonate. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentan-2-yl 4-aminobenzenesulfonate. Following Lipinski's Rule of Five, Pentan-2-yl 4-aminobenzenesulfonate has 1 hydrogen bond donor(s) and 4 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 Pentan-2-yl 4-aminobenzenesulfonate?
The CAS number of Pentan-2-yl 4-aminobenzenesulfonate is 91340-92-0.
What is the molecular formula of Pentan-2-yl 4-aminobenzenesulfonate?
The molecular formula of Pentan-2-yl 4-aminobenzenesulfonate is C11H17NO3S.
What is the molecular weight of Pentan-2-yl 4-aminobenzenesulfonate?
The molecular weight of Pentan-2-yl 4-aminobenzenesulfonate is 243.09 g/mol.
Where can I buy Pentan-2-yl 4-aminobenzenesulfonate?
You can request a quote for Pentan-2-yl 4-aminobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentan-2-yl 4-aminobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentan-2-yl 4-aminobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.