3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide
TL;DR: 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide (CAS 6978-77-4) is a chemical compound with molecular formula C19H28N2O3S and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide
Also Known As: 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide, 3-(3,4-dimethoxyphenyl)-N-(heptylthiocarbamoyl)prop-2-enamide
| Molecular Formula | C19H28N2O3S |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 3.6781 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 364.18207 |
| Heavy Atoms | 25 |
| Complexity | 588.032 |
Chemical Identifiers
| CAS Number | 6978-77-4 |
|---|---|
| SMILES | CCCCCCCNC(=S)NC(=O)C=CC1=CC(=C(C=C1)OC)OC |
Product Overview
3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide (CAS 6978-77-4), with molecular formula C19H28N2O3S and molecular weight 364.18 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide
Property Insights of 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide
The XLogP value of 3.6781 indicates that 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)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 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide?
The CAS number of 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide is 6978-77-4.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide?
The molecular formula of 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide is C19H28N2O3S.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide?
The molecular weight of 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide is 364.18 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide?
You can request a quote for 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)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 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-N-(heptylcarbamothioyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.