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Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate
TL;DR: Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate (CAS 476643-08-0) is a chemical compound with molecular formula C13H7Cl2NO2S2 and molecular weight 342.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate
Also Known As: IFLab1_003224, (1,3-benzothiazol-2-yl)methyl 2,5-dichlorothiophene-3-carboxylate, 1,3-benzothiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate, benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate, F0737-0355
| Molecular Formula | C13H7Cl2NO2S2 |
|---|---|
| Molecular Weight | 342.93 g/mol |
| LogP | 5.0216 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.92953 |
| Heavy Atoms | 20 |
| Complexity | 748.62305 |
Chemical Identifiers
| CAS Number | 476643-08-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(SC(=C3)Cl)Cl |
Product Overview
Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate (CAS 476643-08-0), with molecular formula C13H7Cl2NO2S2 and molecular weight 342.93 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate.
Chemical Property Profile of Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate
Property Insights of Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate
The XLogP value of 5.0216 indicates that Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate has 0 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 Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate?
The CAS number of Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate is 476643-08-0.
What is the molecular formula of Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate?
The molecular formula of Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate is C13H7Cl2NO2S2.
What is the molecular weight of Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate?
The molecular weight of Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate is 342.93 g/mol.
Where can I buy Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate?
You can request a quote for Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d]thiazol-2-ylmethyl 2,5-dichlorothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.