Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate
TL;DR: Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate (CAS 329693-99-4) is a chemical compound with molecular formula C13H14BrNO2S and molecular weight 326.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate
Also Known As: BAS 00673254, isopropyl 3-(4-bromo-5-ethyl-2-thienyl)-2-cyanoacrylate, propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate
| Molecular Formula | C13H14BrNO2S |
|---|---|
| Molecular Weight | 326.99 g/mol |
| LogP | 3.93158 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.99286 |
| Heavy Atoms | 18 |
| Complexity | 511.55118 |
Chemical Identifiers
| CAS Number | 329693-99-4 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C=C(C#N)C(=O)OC(C)C)Br |
Product Overview
Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate (CAS 329693-99-4), with molecular formula C13H14BrNO2S and molecular weight 326.99 g/mol. IUPAC: propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate
Property Insights of Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate
The XLogP value of 3.93158 indicates that Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-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 Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate?
The CAS number of Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate is 329693-99-4.
What is the molecular formula of Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate?
The molecular formula of Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate is C13H14BrNO2S.
What is the molecular weight of Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate?
The molecular weight of Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate is 326.99 g/mol.
Where can I buy Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate?
You can request a quote for Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 3-(4-bromo-5-ethylthiophen-2-yl)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.