![6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one structure](/static/products/896/896842-65-2.png)
6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
TL;DR: 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one (CAS 896842-65-2) is a chemical compound with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
Also Known As: 6-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-benzooxazol-2-one, 6-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one, 6-((4-benzylpiperazin-1-yl)sulfonyl)-3-methylbenzo[d]oxazol-2(3H)-one, 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C19H21N3O4S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 1.638 |
| Topological Polar Surface Area | 75.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12527 |
| Heavy Atoms | 27 |
| Complexity | 1110.8124 |
Chemical Identifiers
| CAS Number | 896842-65-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)OC1=O |
Product Overview
6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one (CAS 896842-65-2), with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Property Insights of 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
The XLogP value of 1.638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one. The TPSA of 75.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one 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 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one?
The CAS number of 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one is 896842-65-2.
What is the molecular formula of 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular formula of 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one is C19H21N3O4S.
What is the molecular weight of 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular weight of 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one is 387.13 g/mol.
Where can I buy 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one?
You can request a quote for 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-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 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-benzylpiperazin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.