![N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide structure](/static/products/651/651016-76-1.png)
N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide
TL;DR: N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide (CAS 651016-76-1) is a chemical compound with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
Also Known As: N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide, N-benzyl-4-[2-[3-(2-methoxyphenyl)prop-2-enoylthiocarbamoyl]hydrazinyl]-4-oxo-butanamide, (2E)-N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide, N-benzyl-4-(2-{[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide, N-benzyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 1.8269 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 947.5369 |
Chemical Identifiers
| CAS Number | 651016-76-1 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2 |
Product Overview
N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide (CAS 651016-76-1), with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol. IUPAC: N-benzyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide.
Chemical Property Profile of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide
Property Insights of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide
The XLogP value of 1.8269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide. Following Lipinski's Rule of Five, N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide has 4 hydrogen bond donor(s) and 5 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-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide?
The CAS number of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide is 651016-76-1.
What is the molecular formula of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide?
The molecular formula of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide is C22H24N4O4S.
What is the molecular weight of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide?
The molecular weight of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide is 440.15 g/mol.
Where can I buy N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide?
You can request a quote for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(2-methoxyphenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.