1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate
TL;DR: 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate (CAS 391229-57-5) is a chemical compound with molecular formula C13H9NO2S2 and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl thiophene-2-carboxylate
Also Known As: 1,3-benzothiazol-2-ylmethyl thiophene-2-carboxylate, 1,3-benzothiazol-2-ylmethyl 2-thiophenecarboxylate, IFLab1_000889, benzo[d]thiazol-2-ylmethyl thiophene-2-carboxylate, VU0186187-5
| Molecular Formula | C13H9NO2S2 |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | 3.7148 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.00748 |
| Heavy Atoms | 18 |
| Complexity | 640.1854 |
Chemical Identifiers
| CAS Number | 391229-57-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=CS3 |
Product Overview
1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate (CAS 391229-57-5), with molecular formula C13H9NO2S2 and molecular weight 275.01 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl thiophene-2-carboxylate.
Chemical Property Profile of 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate
Property Insights of 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate
The XLogP value of 3.7148 indicates that 1,3-Benzothiazol-2-ylmethyl thiophene-2-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, 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 thiophene-2-carboxylate?
The CAS number of 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate is 391229-57-5.
What is the molecular formula of 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate?
The molecular formula of 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate is C13H9NO2S2.
What is the molecular weight of 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate?
The molecular weight of 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate is 275.01 g/mol.
Where can I buy 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate?
You can request a quote for 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate 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 thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.