![(2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide structure](/static/products/332/332389-61-4.png)
(2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
TL;DR: (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide (CAS 332389-61-4) is a chemical compound with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Also Known As: BAS 01555553, (E)-N-((2-cyanophenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide, 1-(2-Cyano-phenyl)-3-[3-(4-methoxy-phenyl)-acryloyl]-thiourea, N-(2-CYANOPHENYL)-N'-[3-(4-METHOXYPHENYL)ACRYLOYL]THIOUREA, (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
| Molecular Formula | C18H15N3O2S |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.0885 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 332389-61-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C#N |
| InChIKey | AAPABKAWMCTXLD-DHZHZOJOSA-N |
Product Overview
(2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide (CAS 332389-61-4), with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol. IUPAC: (E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Property Insights of (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
The XLogP value of 3.6 indicates that (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide has 2 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 (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
The CAS number of (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is 332389-61-4.
What is the molecular formula of (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
The molecular formula of (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is C18H15N3O2S.
What is the molecular weight of (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
The molecular weight of (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide is 337.09 g/mol.
Where can I buy (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
You can request a quote for (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-[(2-cyanophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.