3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one
TL;DR: 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one (CAS 401610-49-9) is a chemical compound with molecular formula C16H11ClN2OS and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzothiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one
Also Known As: 3-(1,3-benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one, AI-031/40954963, (E)-3-(1,3-benzothiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one, (2E)-3-(benzothiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one, (E)-3-(Benzo[d]thiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one
| Molecular Formula | C16H11ClN2OS |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 4.7582 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.02808 |
| Heavy Atoms | 21 |
| Complexity | 775.51483 |
Chemical Identifiers
| CAS Number | 401610-49-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N/C=C/C(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one (CAS 401610-49-9), with molecular formula C16H11ClN2OS and molecular weight 314.03 g/mol. IUPAC: (E)-3-(1,3-benzothiazol-2-ylamino)-1-(4-chlorophenyl)prop-2-en-1-one.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one
Property Insights of 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one
The XLogP value of 4.7582 indicates that 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one has 1 hydrogen bond donor(s) and 4 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 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one?
The CAS number of 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one is 401610-49-9.
What is the molecular formula of 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one?
The molecular formula of 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one is C16H11ClN2OS.
What is the molecular weight of 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one?
The molecular weight of 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one is 314.03 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one?
You can request a quote for 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-ylamino)-1-(4-chlorophenyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.