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methyl 3-(benzo[d]thiazol-2-yl)propanoate
TL;DR: methyl 3-(benzo[d]thiazol-2-yl)propanoate (CAS 610277-15-1) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzothiazol-2-yl)propanoate
Also Known As: methyl 3-(benzo[d]thiazol-2-yl)propanoate, methyl 3-benzothiazol-2-ylpropanoate, methyl 3-(1,3-benzothiazol-2-yl)propanoate, 2-benzothiazolepropanoic acid methyl ester, methyl3-(benzo[d]thiazol-2-yl)propanoate
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.4019 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 445.14758 |
Chemical Identifiers
| CAS Number | 610277-15-1 |
|---|---|
| SMILES | COC(=O)CCC1=NC2=CC=CC=C2S1 |
Product Overview
methyl 3-(benzo[d]thiazol-2-yl)propanoate (CAS 610277-15-1), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: methyl 3-(1,3-benzothiazol-2-yl)propanoate.
Chemical Property Profile of methyl 3-(benzo[d]thiazol-2-yl)propanoate
Property Insights of methyl 3-(benzo[d]thiazol-2-yl)propanoate
The XLogP value of 2.4019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(benzo[d]thiazol-2-yl)propanoate. With a topological polar surface area (TPSA) of 39.19 Ų, methyl 3-(benzo[d]thiazol-2-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(benzo[d]thiazol-2-yl)propanoate 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 methyl 3-(benzo[d]thiazol-2-yl)propanoate?
The CAS number of methyl 3-(benzo[d]thiazol-2-yl)propanoate is 610277-15-1.
What is the molecular formula of methyl 3-(benzo[d]thiazol-2-yl)propanoate?
The molecular formula of methyl 3-(benzo[d]thiazol-2-yl)propanoate is C11H11NO2S.
What is the molecular weight of methyl 3-(benzo[d]thiazol-2-yl)propanoate?
The molecular weight of methyl 3-(benzo[d]thiazol-2-yl)propanoate is 221.05 g/mol.
Where can I buy methyl 3-(benzo[d]thiazol-2-yl)propanoate?
You can request a quote for methyl 3-(benzo[d]thiazol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(benzo[d]thiazol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(benzo[d]thiazol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.