![N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide structure](/static/products/7122/712292-63-2.webp)
N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
TL;DR: N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide (CAS 712292-63-2) is a chemical compound with molecular formula C29H29ClN6O4S and molecular weight 592.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide, N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidin-1-yl-benzamide
| Molecular Formula | C29H29ClN6O4S |
|---|---|
| Molecular Weight | 592.17 g/mol |
| LogP | 4.9376 |
| Topological Polar Surface Area | 111.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.16595 |
| Heavy Atoms | 41 |
| Complexity | 1453.1334 |
Chemical Identifiers
| CAS Number | 712292-63-2 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)[N+](=O)[O-] |
Product Overview
N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide (CAS 712292-63-2), with molecular formula C29H29ClN6O4S and molecular weight 592.17 g/mol. IUPAC: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Property Insights of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
The XLogP value of 4.9376 indicates that N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The CAS number of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide is 712292-63-2.
What is the molecular formula of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular formula of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide is C29H29ClN6O4S.
What is the molecular weight of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular weight of N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide is 592.17 g/mol.
Where can I buy N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide?
You can request a quote for N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.