methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
TL;DR: methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate (CAS 53004-62-9) is a chemical compound with molecular formula C11H9NO2S and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
Also Known As: 2-Propenoicacid,3- -,methylester, J3.280.330J, (E)-methyl 3-(benzo[d]thiazol-2-yl)acrylate, (E)-3-(Benzothiazole-2-yl)acrylic acid methyl ester, methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
| Molecular Formula | C11H9NO2S |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 2.4825 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0354 |
| Heavy Atoms | 15 |
| Complexity | 483.0372 |
Chemical Identifiers
| CAS Number | 53004-62-9 |
|---|---|
| SMILES | COC(=O)/C=C/C1=NC2=CC=CC=C2S1 |
Product Overview
methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate (CAS 53004-62-9), with molecular formula C11H9NO2S and molecular weight 219.04 g/mol. IUPAC: methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate.
Chemical Property Profile of methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
Property Insights of methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
The XLogP value of 2.4825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 39.19 Ų, methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate 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 (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
The CAS number of methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is 53004-62-9.
What is the molecular formula of methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
The molecular formula of methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is C11H9NO2S.
What is the molecular weight of methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
The molecular weight of methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is 219.04 g/mol.
Where can I buy methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
You can request a quote for methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.