![Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate structure](/static/products/310/31081-08-0.png)
Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate
TL;DR: Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate (CAS 31081-08-0) is a chemical compound with molecular formula C14H13NO7S2 and molecular weight 371.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)sulfonylmethyl 4-methylbenzenesulfonate
Also Known As: [sulfonyl]methyl4-methylbenzenesulfonate|[ sulfonyl]methyl4-methylbenzenesulfonate|[(4-Nitrophenyl)sulfonyl]methyl 4-methylbenzenesulfonate|(4-nitrophenyl)sulfonylmethyl 4-methylbenzenesulfonate|Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate|[(4-Nitrophenyl)sulfonyl]methyl 4-methylbenzenesulfonate #|1-methyl-4-{[(4-nitrobenzenesulfonyl)methoxy]sulfonyl}benzene|NBZIWHFDDGNMEZ-UHFFFAOYSA-N
| Molecular Formula | C14H13NO7S2 |
|---|---|
| Molecular Weight | 371.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.01334 |
| Heavy Atoms | 24 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 31081-08-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NBZIWHFDDGNMEZ-UHFFFAOYSA-N |
Product Overview
Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate (CAS 31081-08-0), with molecular formula C14H13NO7S2 and molecular weight 371.01 g/mol. IUPAC: (4-nitrophenyl)sulfonylmethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate
Property Insights of Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate. The TPSA of 140.0 Ų indicates high polarity, suggesting Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 7 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 Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate?
The CAS number of Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate is 31081-08-0.
What is the molecular formula of Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate?
The molecular formula of Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate is C14H13NO7S2.
What is the molecular weight of Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate?
The molecular weight of Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate is 371.01 g/mol.
Where can I buy Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate?
You can request a quote for Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methanol, [(4-nitrophenyl)sulfonyl]-, 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.