![3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide structure](/static/products/817/817192-18-0.png)
3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide (CAS 817192-18-0) is a chemical compound with molecular formula C21H19ClN4O3S2 and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide, 3-chloro-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide, 3-chloro-N-{[2-({4-[(2-methylpropanoyl)amino]phenyl}carbonyl)hydrazinyl]carbonothioyl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C21H19ClN4O3S2 |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 4.0985 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.05872 |
| Heavy Atoms | 31 |
| Complexity | 1159.1461 |
Chemical Identifiers
| CAS Number | 817192-18-0 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide (CAS 817192-18-0), with molecular formula C21H19ClN4O3S2 and molecular weight 474.06 g/mol. IUPAC: 3-chloro-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.0985 indicates that 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide 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 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide is 817192-18-0.
What is the molecular formula of 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide is C21H19ClN4O3S2.
What is the molecular weight of 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide is 474.06 g/mol.
Where can I buy 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-({2-[4-(isobutyrylamino)benzoyl]hydrazino}carbonothioyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.