3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid
TL;DR: 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid (CAS 381711-20-2) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-2-methoxypropanoic acid
Also Known As: 3-(1,3-benzothiazol-2-yl)-2-methoxypropanoic acid, CBKinase1_002529, CBKinase1_014929, IFLab1_004017, 3-(benzo[d]thiazol-2-yl)-2-methoxypropanoic acid
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.9384 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 475.6539 |
Chemical Identifiers
| CAS Number | 381711-20-2 |
|---|---|
| SMILES | COC(CC1=NC2=CC=CC=C2S1)C(=O)O |
Product Overview
3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid (CAS 381711-20-2), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-2-methoxypropanoic acid.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid
Property Insights of 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid
The XLogP value of 1.9384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid. With a topological polar surface area (TPSA) of 59.42 Ų, 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid has 1 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 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid is 381711-20-2.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid is C11H11NO3S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid is 237.05 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-2-methoxypropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.