![6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one structure](/static/products/899/899414-20-1.png)
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
TL;DR: 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one (CAS 899414-20-1) is a chemical compound with molecular formula C18H18ClN3O4S and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
Also Known As: 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one, 6-((4-(3-chlorophenyl)piperazin-1-yl)sulfonyl)-3-methylbenzo[d]oxazol-2(3H)-one, 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
| Molecular Formula | C18H18ClN3O4S |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.07065 |
| Heavy Atoms | 27 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 899414-20-1 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC1=O |
| InChIKey | JYDXSXWRUCTXIG-UHFFFAOYSA-N |
Product Overview
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one (CAS 899414-20-1), with molecular formula C18H18ClN3O4S and molecular weight 407.07 g/mol. IUPAC: 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Property Insights of 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-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 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one?
The CAS number of 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one is 899414-20-1.
What is the molecular formula of 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular formula of 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one is C18H18ClN3O4S.
What is the molecular weight of 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular weight of 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one is 407.07 g/mol.
Where can I buy 6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one?
You can request a quote for 6-{[4-(3-chlorophenyl)piperazin-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-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{[4-(3-chlorophenyl)piperazin-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.