Benzenesulfonic acid--propan-2-amine (1/1)
TL;DR: Benzenesulfonic acid--propan-2-amine (1/1) (CAS 16728-86-2) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonic acid;propan-2-amine
Also Known As: benzenesulfonic acid; propan-2-amine, Benzenesulfonic acid--propan-2-amine (1/1), (C10-C16)Alkylbenzenesulfonic acid, isopropylamine salt, (C9-C17) Branched alkylbenzenesulfonic acid, isopropylamine salt, Benzenesulfonic acid, mono-C10-16 alkyl derivs, compds. with 2-propanamine
| Molecular Formula | C9H15NO3S |
|---|---|
| Molecular Weight | 217.08 g/mol |
| LogP | 1.2868 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.07727 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 16728-86-2 |
|---|---|
| SMILES | CC(C)N.C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | VKGVJJOOOGNKRQ-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid--propan-2-amine (1/1) (CAS 16728-86-2), with molecular formula C9H15NO3S and molecular weight 217.08 g/mol. IUPAC: benzenesulfonic acid;propan-2-amine.
Chemical Property Profile of Benzenesulfonic acid--propan-2-amine (1/1)
Property Insights of Benzenesulfonic acid--propan-2-amine (1/1)
The XLogP value of 1.2868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid--propan-2-amine (1/1). The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid--propan-2-amine (1/1). Following Lipinski's Rule of Five, Benzenesulfonic acid--propan-2-amine (1/1) has 2 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 Benzenesulfonic acid--propan-2-amine (1/1)?
The CAS number of Benzenesulfonic acid--propan-2-amine (1/1) is 16728-86-2.
What is the molecular formula of Benzenesulfonic acid--propan-2-amine (1/1)?
The molecular formula of Benzenesulfonic acid--propan-2-amine (1/1) is C9H15NO3S.
What is the molecular weight of Benzenesulfonic acid--propan-2-amine (1/1)?
The molecular weight of Benzenesulfonic acid--propan-2-amine (1/1) is 217.08 g/mol.
Where can I buy Benzenesulfonic acid--propan-2-amine (1/1)?
You can request a quote for Benzenesulfonic acid--propan-2-amine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid--propan-2-amine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid--propan-2-amine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.