![N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea structure](/static/products/816/816461-22-0.png)
N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea
TL;DR: N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea (CAS 816461-22-0) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide
Also Known As: AN-329/42581130, N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea, (E)-3-(3,4-dimethoxyphenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide, 3-(3,4-dimethoxyphenyl)-N-[(isopropylamino)carbonothioyl]acrylamide, (2E)-3-(3,4-dimethoxyphenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.1161 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 541.72034 |
Chemical Identifiers
| CAS Number | 816461-22-0 |
|---|---|
| SMILES | CC(C)NC(=S)NC(=O)/C=C/C1=CC(=C(C=C1)OC)OC |
Product Overview
N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea (CAS 816461-22-0), with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide.
Chemical Property Profile of N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea
Property Insights of N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea
The XLogP value of 2.1161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea. With a topological polar surface area (TPSA) of 59.59 Ų, N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea 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 N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea?
The CAS number of N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea is 816461-22-0.
What is the molecular formula of N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea?
The molecular formula of N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea is C15H20N2O3S.
What is the molecular weight of N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea?
The molecular weight of N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea is 308.12 g/mol.
Where can I buy N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea?
You can request a quote for N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(3,4-dimethoxyphenyl)acryloyl]-N'-isopropylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.