2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate
TL;DR: 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate (CAS 733796-16-2) is a chemical compound with molecular formula C17H11Cl2NO2S and molecular weight 362.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 3-(2,4-dichlorophenyl)prop-2-enoate
Also Known As: 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate, (1,3-benzothiazol-2-yl)methyl 3-(2,4-dichlorophenyl)prop-2-enoate, 1,3-benzothiazol-2-ylmethyl 3-(2,4-dichlorophenyl)prop-2-enoate
| Molecular Formula | C17H11Cl2NO2S |
|---|---|
| Molecular Weight | 362.99 g/mol |
| LogP | 5.3597 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.98877 |
| Heavy Atoms | 23 |
| Complexity | 856.18567 |
Chemical Identifiers
| CAS Number | 733796-16-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)C=CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate (CAS 733796-16-2), with molecular formula C17H11Cl2NO2S and molecular weight 362.99 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 3-(2,4-dichlorophenyl)prop-2-enoate.
Chemical Property Profile of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate
Property Insights of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate
The XLogP value of 5.3597 indicates that 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate?
The CAS number of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate is 733796-16-2.
What is the molecular formula of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate?
The molecular formula of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate is C17H11Cl2NO2S.
What is the molecular weight of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate?
The molecular weight of 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate is 362.99 g/mol.
Where can I buy 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate?
You can request a quote for 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolylmethyl 3-(2,4-dichlorophenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.