Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester
TL;DR: Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester (CAS 1830-67-7) is a chemical compound with molecular formula C9H11NO5S and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-nitrobenzenesulfonate
Also Known As: Isopropyl p-nitrobenzenesulfonate, ISOPROPYL NOSYLATE, starbld0024461, propan-2-yl 4-nitrobenzenesulfonate, Isopropyl4-nitrobenzenesulfonate
| Molecular Formula | C9H11NO5S |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.0358 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 1830-67-7 |
|---|---|
| SMILES | CC(C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | SKEMEAIANCBOLC-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester (CAS 1830-67-7), with molecular formula C9H11NO5S and molecular weight 245.04 g/mol. IUPAC: propan-2-yl 4-nitrobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester
Property Insights of Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester has 0 hydrogen bond donor(s) and 5 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, 4-nitro-, 1-methylethyl ester?
The CAS number of Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester is 1830-67-7.
What is the molecular formula of Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester?
The molecular formula of Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester is C9H11NO5S.
What is the molecular weight of Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester?
The molecular weight of Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester is 245.04 g/mol.
Where can I buy Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester?
You can request a quote for Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-nitro-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.