![4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one structure](/static/products/861/861210-87-9.png)
4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
TL;DR: 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one (CAS 861210-87-9) is a chemical compound with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)sulfonyl-2-methyl-1,3,4-benzoxadiazepin-5-one
Also Known As: 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one, 4-(4-methoxybenzenesulfonyl)-2-methyl-4,5-dihydro-1,3,4-benzoxadiazepin-5-one, 4-(4-methoxyphenyl)sulfonyl-2-methyl-1,3,4-benzoxadiazepin-5-one, 4-(4-methoxybenzenesulfonyl)-2-methyl-1,3,4-benzoxadiazepin-5-one
| Molecular Formula | C16H14N2O5S |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 2.2521 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.06235 |
| Heavy Atoms | 24 |
| Complexity | 919.7389 |
Chemical Identifiers
| CAS Number | 861210-87-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)OC |
Product Overview
4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one (CAS 861210-87-9), with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol. IUPAC: 4-(4-methoxyphenyl)sulfonyl-2-methyl-1,3,4-benzoxadiazepin-5-one.
Chemical Property Profile of 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
Property Insights of 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
The XLogP value of 2.2521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one. Following Lipinski's Rule of Five, 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-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 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The CAS number of 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 861210-87-9.
What is the molecular formula of 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular formula of 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is C16H14N2O5S.
What is the molecular weight of 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular weight of 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 346.06 g/mol.
Where can I buy 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
You can request a quote for 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.