Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
TL;DR: Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate (CAS 55359-97-2) is a chemical compound with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
Also Known As: Methyl 2-(2-benzothiazolylthio)propanoate, methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate, methyl 2-benzothiazol-2-ylthiopropanoate, methyl 2-(1,3-benzothiazol-2-ylthio)propanoate, Methyl 2-[(1,3-benzothiazol-2-yl)sulfanyl]propanoate
| Molecular Formula | C11H11NO2S2 |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 2.9499 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.02312 |
| Heavy Atoms | 16 |
| Complexity | 476.4088 |
Chemical Identifiers
| CAS Number | 55359-97-2 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC2=CC=CC=C2S1 |
Product Overview
Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate (CAS 55359-97-2), with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol. IUPAC: methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate.
Chemical Property Profile of Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
Property Insights of Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
The XLogP value of 2.9499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate 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 Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate?
The CAS number of Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate is 55359-97-2.
What is the molecular formula of Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate?
The molecular formula of Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate is C11H11NO2S2.
What is the molecular weight of Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate?
The molecular weight of Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate is 253.02 g/mol.
Where can I buy Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate?
You can request a quote for Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.