![N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide structure](/static/products/6947/6947-12-2.webp)
N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide
TL;DR: N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide (CAS 6947-12-2) is a chemical compound with molecular formula C18H18ClN3O3S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]carbamothioyl]acetamide
Also Known As: N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide, N-[[4-[[(E)-(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]carbamothioyl]acetamide
| Molecular Formula | C18H18ClN3O3S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 4.0278 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.07574 |
| Heavy Atoms | 26 |
| Complexity | 838.3201 |
Chemical Identifiers
| CAS Number | 6947-12-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)C=NC2=CC=C(C=C2)NC(=S)NC(=O)C)Cl |
Product Overview
N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide (CAS 6947-12-2), with molecular formula C18H18ClN3O3S and molecular weight 391.08 g/mol. IUPAC: N-[[4-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]carbamothioyl]acetamide.
Chemical Property Profile of N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide
Property Insights of N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide
The XLogP value of 4.0278 indicates that N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide. Following Lipinski's Rule of Five, N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide has 3 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-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
The CAS number of N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide is 6947-12-2.
What is the molecular formula of N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
The molecular formula of N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide is C18H18ClN3O3S.
What is the molecular weight of N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
The molecular weight of N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide is 391.08 g/mol.
Where can I buy N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
You can request a quote for N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-[(3-chloro-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.