Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate
TL;DR: Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate (CAS 75754-91-5) is a chemical compound with molecular formula C8H6ClNO4S and molecular weight 246.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(5-chloro-2-nitrothiophen-3-yl)prop-2-enoate
Also Known As: methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate, Methyl 3-{5-chloro-2-nitro-3-thienyl}, AI-942/25034492, methyl (E)-3-(5-chloro-2-nitrothiophen-3-yl)prop-2-enoate, methyl (2E)-3-(5-chloro-2-nitro(3-thienyl))prop-2-enoate
| Molecular Formula | C8H6ClNO4S |
|---|---|
| Molecular Weight | 246.97 g/mol |
| LogP | 2.4959 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.97061 |
| Heavy Atoms | 15 |
| Complexity | 426.2762 |
Chemical Identifiers
| CAS Number | 75754-91-5 |
|---|---|
| SMILES | COC(=O)/C=C/C1=C(SC(=C1)Cl)[N+](=O)[O-] |
Product Overview
Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate (CAS 75754-91-5), with molecular formula C8H6ClNO4S and molecular weight 246.97 g/mol. IUPAC: methyl (E)-3-(5-chloro-2-nitrothiophen-3-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate
Property Insights of Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate
The XLogP value of 2.4959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate. Following Lipinski's Rule of Five, Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate 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 3-{5-chloro-2-nitro-3-thienyl}acrylate?
The CAS number of Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate is 75754-91-5.
What is the molecular formula of Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate?
The molecular formula of Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate is C8H6ClNO4S.
What is the molecular weight of Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate?
The molecular weight of Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate is 246.97 g/mol.
Where can I buy Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate?
You can request a quote for Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{5-chloro-2-nitro-3-thienyl}acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.