2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-
TL;DR: 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- (CAS 75754-90-4) is a chemical compound with molecular formula C8H7ClO2S and molecular weight 201.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(5-chlorothiophen-3-yl)prop-2-enoate
Also Known As: methyl 3-(5-chlorothien-3-yl)acrylate, 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-, AI-942/25034514, Methyl (2E)-3-(5-chlorothiophen-3-yl)prop-2-enoate, methyl (E)-3-(5-chlorothiophen-3-yl)prop-2-enoate
| Molecular Formula | C8H7ClO2S |
|---|---|
| Molecular Weight | 201.99 g/mol |
| LogP | 2.5877 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.98553 |
| Heavy Atoms | 12 |
| Complexity | 303.76144 |
Chemical Identifiers
| CAS Number | 75754-90-4 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CSC(=C1)Cl |
Product Overview
2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- (CAS 75754-90-4), with molecular formula C8H7ClO2S and molecular weight 201.99 g/mol. IUPAC: methyl (E)-3-(5-chlorothiophen-3-yl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-
Property Insights of 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-
The XLogP value of 2.5877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- has 0 hydrogen bond donor(s) and 3 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 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-?
The CAS number of 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- is 75754-90-4.
What is the molecular formula of 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-?
The molecular formula of 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- is C8H7ClO2S.
What is the molecular weight of 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-?
The molecular weight of 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- is 201.99 g/mol.
Where can I buy 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-?
You can request a quote for 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(5-chloro-3-thienyl)-, methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.