![N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea structure](/static/products/816/816461-44-6.png)
N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea
TL;DR: N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea (CAS 816461-44-6) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[bis(prop-2-enyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Also Known As: AN-329/42607874, N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea, (E)-N-[bis(prop-2-enyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide, N-[(diallylamino)carbonothioyl]-3-(3,4-dimethoxyphenyl)acrylamide, (2E)-3-(3,4-dimethoxyphenyl)-N-(diprop-2-en-1-ylcarbamothioyl)prop-2-enamide
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 2.7921 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 631.15106 |
Chemical Identifiers
| CAS Number | 816461-44-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N(CC=C)CC=C)OC |
Product Overview
N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea (CAS 816461-44-6), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: (E)-N-[bis(prop-2-enyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea
Property Insights of N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea
The XLogP value of 2.7921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea. With a topological polar surface area (TPSA) of 50.8 Ų, N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea has 1 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 N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea?
The CAS number of N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea is 816461-44-6.
What is the molecular formula of N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea?
The molecular formula of N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea is C18H22N2O3S.
What is the molecular weight of N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea?
The molecular weight of N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea is 346.14 g/mol.
Where can I buy N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea?
You can request a quote for N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for N,N-diallyl-N'-[3-(3,4-dimethoxyphenyl)acryloyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.