![2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide structure](/static/products/6802/68029-38-9.webp)
2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide
TL;DR: 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide (CAS 68029-38-9) is a chemical compound with molecular formula C14H17N3S and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enethioamide
Also Known As: 2-cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide, (E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enethioamide, J2.122.862A, (E)-3-[4-(Diethylamino)phenyl]-2-cyanoacrylthiamide, (2E)-2-CYANO-3-[4-(DIETHYLAMINO)PHENYL]PROP-2-ENETHIOAMIDE
| Molecular Formula | C14H17N3S |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.11432 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 68029-38-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=S)N |
| InChIKey | YOMMFFDVFZELPA-FMIVXFBMSA-N |
Product Overview
2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide (CAS 68029-38-9), with molecular formula C14H17N3S and molecular weight 259.11 g/mol. IUPAC: (E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enethioamide.
Chemical Property Profile of 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide
Property Insights of 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide. Following Lipinski's Rule of Five, 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide has 1 hydrogen bond donor(s) and 3 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 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide?
The CAS number of 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide is 68029-38-9.
What is the molecular formula of 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide?
The molecular formula of 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide is C14H17N3S.
What is the molecular weight of 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide?
The molecular weight of 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide is 259.11 g/mol.
Where can I buy 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide?
You can request a quote for 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.