![4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate structure](/static/products/3496/349624-91-5.webp)
4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate
TL;DR: 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate (CAS 349624-91-5) is a chemical compound with molecular formula C17H14N2O5S2 and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
Also Known As: BAS 03033300, AB00112396-01, 4-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)carbamoyl)phenyl acetate, 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate, Acetic acid 4-(6-methanesulfonyl-benzothiazol-2-ylcarbamoyl)-phenyl ester
| Molecular Formula | C17H14N2O5S2 |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | 2.8774 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.03442 |
| Heavy Atoms | 26 |
| Complexity | 1101.8885 |
Chemical Identifiers
| CAS Number | 349624-91-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C |
Product Overview
4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate (CAS 349624-91-5), with molecular formula C17H14N2O5S2 and molecular weight 390.03 g/mol. IUPAC: [4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate.
Chemical Property Profile of 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate
Property Insights of 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate
The XLogP value of 2.8774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate. Following Lipinski's Rule of Five, 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate has 1 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 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate?
The CAS number of 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate is 349624-91-5.
What is the molecular formula of 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate?
The molecular formula of 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate is C17H14N2O5S2.
What is the molecular weight of 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate?
The molecular weight of 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate is 390.03 g/mol.
Where can I buy 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate?
You can request a quote for 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.