1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate
TL;DR: 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate (CAS 321979-49-1) is a chemical compound with molecular formula C15H10ClNO2S and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 4-chlorobenzoate
Also Known As: benzothiazol-2-ylmethyl 4-chlorobenzoate, 1,3-benzothiazol-2-ylmethyl 4-chlorobenzoate, (1,3-benzothiazol-2-yl)methyl 4-chlorobenzoate, benzo[d]thiazol-2-ylmethyl 4-chlorobenzoate, AF-399/11786107
| Molecular Formula | C15H10ClNO2S |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 4.3067 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0121 |
| Heavy Atoms | 20 |
| Complexity | 718.9143 |
Chemical Identifiers
| CAS Number | 321979-49-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)Cl |
Product Overview
1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate (CAS 321979-49-1), with molecular formula C15H10ClNO2S and molecular weight 303.01 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 4-chlorobenzoate.
Chemical Property Profile of 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate
Property Insights of 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate
The XLogP value of 4.3067 indicates that 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate has 0 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 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate?
The CAS number of 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate is 321979-49-1.
What is the molecular formula of 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate?
The molecular formula of 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate is C15H10ClNO2S.
What is the molecular weight of 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate?
The molecular weight of 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate is 303.01 g/mol.
Where can I buy 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate?
You can request a quote for 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazol-2-ylmethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.