![3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one structure](/static/products/106/106590-31-2.png)
3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one
TL;DR: 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one (CAS 106590-31-2) is a chemical compound with molecular formula C14H10N2O6S and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonyl-6-nitro-1,3-benzoxazol-2-one
Also Known As: 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one, 3-(4-methylphenyl)sulfonyl-6-nitro-1,3-benzoxazol-2-one, 3-(4-METHYLBENZENESULFONYL)-6-NITRO-1,3-BENZOXAZOL-2-ONE, 3-(4-METHYLBENZENESULFONYL)-6-NITRO-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE
| Molecular Formula | C14H10N2O6S |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 2.04812 |
| Topological Polar Surface Area | 112.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.02597 |
| Heavy Atoms | 23 |
| Complexity | 1076.6482 |
Chemical Identifiers
| CAS Number | 106590-31-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O |
Product Overview
3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one (CAS 106590-31-2), with molecular formula C14H10N2O6S and molecular weight 334.03 g/mol. IUPAC: 3-(4-methylphenyl)sulfonyl-6-nitro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one
Property Insights of 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.04812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one. The TPSA of 112.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one has 0 hydrogen bond donor(s) and 6 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 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one is 106590-31-2.
What is the molecular formula of 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one is C14H10N2O6S.
What is the molecular weight of 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one is 334.03 g/mol.
Where can I buy 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.