![(E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid structure](/static/products/100/1004659-94-2.png)
(E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
TL;DR: (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid (CAS 1004659-94-2) is a chemical compound with molecular formula C19H20N4O5S and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
Also Known As: (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid, 2-Propenoic acid, 2-[[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]thio]-3-[5-(dimethylamino)-2-furanyl]-, (2E)-
| Molecular Formula | C19H20N4O5S |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.3657 |
| Topological Polar Surface Area | 113.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.11545 |
| Heavy Atoms | 29 |
| Complexity | 1018.65643 |
Chemical Identifiers
| CAS Number | 1004659-94-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(O1)/C=C(\C(=O)O)/SC2=NNC(=N2)C3=CC(=CC(=C3)OC)OC |
Product Overview
(E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid (CAS 1004659-94-2), with molecular formula C19H20N4O5S and molecular weight 416.12 g/mol. IUPAC: (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid.
Chemical Property Profile of (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
Property Insights of (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid
The XLogP value of 3.3657 indicates that (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-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 113.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-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-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid has 2 hydrogen bond donor(s) and 8 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-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
The CAS number of (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid is 1004659-94-2.
What is the molecular formula of (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
The molecular formula of (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid is C19H20N4O5S.
What is the molecular weight of (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid?
The molecular weight of (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[5-(dimethylamino)furan-2-yl]prop-2-enoic acid is 416.12 g/mol.
Where can I buy (E)-2-[[5-(3,5-dimethoxyphenyl)-1H-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-(3,5-dimethoxyphenyl)-1H-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-(3,5-dimethoxyphenyl)-1H-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-(3,5-dimethoxyphenyl)-1H-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.