Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-
TL;DR: Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- (CAS 68368-41-2) is a chemical compound with molecular formula C7H5Cl2NO5S and molecular weight 284.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-4-methyl-2-nitrobenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-, 2,5-Dichloro-3-nitrotoluene-4-sulphonic acid, 3,6-dichloro-4-methyl-2-nitrobenzenesulfonic acid, 2,5-Dichloro-3-nitrotoluene-4-sulfonic acid, 3,6-Dichloro-4-methyl-2-nitrobenzene-1-sulfonic acid
| Molecular Formula | C7H5Cl2NO5S |
|---|---|
| Molecular Weight | 284.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.92654 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 68368-41-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1Cl)[N+](=O)[O-])S(=O)(=O)O)Cl |
| InChIKey | UDOKNLFADJCCNE-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- (CAS 68368-41-2), with molecular formula C7H5Cl2NO5S and molecular weight 284.93 g/mol. IUPAC: 3,6-dichloro-4-methyl-2-nitrobenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-
Property Insights of Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- has 1 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, 3,6-dichloro-4-methyl-2-nitro-?
The CAS number of Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- is 68368-41-2.
What is the molecular formula of Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-?
The molecular formula of Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- is C7H5Cl2NO5S.
What is the molecular weight of Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-?
The molecular weight of Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- is 284.93 g/mol.
Where can I buy Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-?
You can request a quote for Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3,6-dichloro-4-methyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.