![(E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid structure](/static/products/100/1002304-49-5.png)
(E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
TL;DR: (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid (CAS 1002304-49-5) is a chemical compound with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
Also Known As: (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid, 2-Propenoic acid, 2-[[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-3-[5-(dimethylamino)-2-furanyl]-, (2E)-
| Molecular Formula | C19H19ClN4O3S |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 4.4952 |
| Topological Polar Surface Area | 84.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.08664 |
| Heavy Atoms | 28 |
| Complexity | 1008.6177 |
Chemical Identifiers
| CAS Number | 1002304-49-5 |
|---|---|
| SMILES | CCN1C(=NN=C1S/C(=C/C2=CC=C(O2)N(C)C)/C(=O)O)C3=CC=C(C=C3)Cl |
Product Overview
(E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid (CAS 1002304-49-5), with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol. IUPAC: (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid.
Chemical Property Profile of (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
Property Insights of (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
The XLogP value of 4.4952 indicates that (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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 (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
The CAS number of (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid is 1002304-49-5.
What is the molecular formula of (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
The molecular formula of (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid is C19H19ClN4O3S.
What is the molecular weight of (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
The molecular weight of (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid is 418.09 g/mol.
Where can I buy (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
You can request a quote for (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.