3-Chloro-2-methyl-3-(2-thienyl)-2-propenal
TL;DR: 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal (CAS 84100-52-7) is a chemical compound with molecular formula C8H7ClOS and molecular weight 185.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methyl-3-thiophen-2-ylprop-2-enal
Also Known As: 3-Chloro-3-(2-thienyl)methacrylaldehyde, 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal, (Z)-3-Chloro-2-methyl-3-(2-thenyl)-acrolein, 3-chloro-2-methyl-3-(thiophen-2-yl)prop-2-enal, RefChem:278193
| Molecular Formula | C8H7ClOS |
|---|---|
| Molecular Weight | 185.99 g/mol |
| LogP | 2.9168 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.99062 |
| Heavy Atoms | 11 |
| Complexity | 274.292 |
Chemical Identifiers
| CAS Number | 84100-52-7 |
|---|---|
| SMILES | CC(=C(C1=CC=CS1)Cl)C=O |
Product Overview
3-Chloro-2-methyl-3-(2-thienyl)-2-propenal (CAS 84100-52-7), with molecular formula C8H7ClOS and molecular weight 185.99 g/mol. IUPAC: 3-chloro-2-methyl-3-thiophen-2-ylprop-2-enal.
Chemical Property Profile of 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal
Property Insights of 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal
The XLogP value of 2.9168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal has 0 hydrogen bond donor(s) and 2 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 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal?
The CAS number of 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal is 84100-52-7.
What is the molecular formula of 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal?
The molecular formula of 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal is C8H7ClOS.
What is the molecular weight of 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal?
The molecular weight of 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal is 185.99 g/mol.
Where can I buy 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal?
You can request a quote for 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-3-(2-thienyl)-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.