5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
TL;DR: 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester (CAS 391229-59-7) is a chemical compound with molecular formula C13H8BrNO2S2 and molecular weight 352.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 5-bromothiophene-2-carboxylate
Also Known As: 1,3-benzothiazol-2-ylmethyl 5-bromothiophene-2-carboxylate, (1,3-benzothiazol-2-yl)methyl 5-bromothiophene-2-carboxylate, (1,3-benzothiazol-2-yl)methyl 5-bromo-2-thenoate, benzo[d]thiazol-2-ylmethyl 5-bromothiophene-2-carboxylate, 5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
| Molecular Formula | C13H8BrNO2S2 |
|---|---|
| Molecular Weight | 352.92 g/mol |
| LogP | 4.4773 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.91797 |
| Heavy Atoms | 19 |
| Complexity | 701.91046 |
Chemical Identifiers
| CAS Number | 391229-59-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)Br |
Product Overview
5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester (CAS 391229-59-7), with molecular formula C13H8BrNO2S2 and molecular weight 352.92 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 5-bromothiophene-2-carboxylate.
Chemical Property Profile of 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
Property Insights of 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
The XLogP value of 4.4773 indicates that 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester 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 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester?
The CAS number of 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester is 391229-59-7.
What is the molecular formula of 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester?
The molecular formula of 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester is C13H8BrNO2S2.
What is the molecular weight of 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester?
The molecular weight of 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester is 352.92 g/mol.
Where can I buy 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester?
You can request a quote for 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.