![3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate structure](/static/products/4048/404834-07-7.webp)
3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate
TL;DR: 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate (CAS 404834-07-7) is a chemical compound with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
Also Known As: 3-((4-(benzo[d]thiazol-2-yl)phenyl)carbamoyl)phenyl acetate, 3-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate, [3-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
| Molecular Formula | C22H16N2O3S |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 5.1409 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.08817 |
| Heavy Atoms | 28 |
| Complexity | 1132.8541 |
Chemical Identifiers
| CAS Number | 404834-07-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate (CAS 404834-07-7), with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol. IUPAC: [3-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl] acetate.
Chemical Property Profile of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate
Property Insights of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate
The XLogP value of 5.1409 indicates that 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate. Following Lipinski's Rule of Five, 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate?
The CAS number of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate is 404834-07-7.
What is the molecular formula of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate?
The molecular formula of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate is C22H16N2O3S.
What is the molecular weight of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate?
The molecular weight of 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate is 388.09 g/mol.
Where can I buy 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate?
You can request a quote for 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]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 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(1,3-Benzothiazol-2-yl)phenyl]carbamoyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.