![N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide structure](/static/products/6947/6947-17-7.webp)
N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide
TL;DR: N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide (CAS 6947-17-7) is a chemical compound with molecular formula C17H15Br2N3O3S and molecular weight 498.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]carbamothioyl]acetamide
Also Known As: N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide, N-[[4-[[(Z)-(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]carbamothioyl]acetamide
| Molecular Formula | C17H15Br2N3O3S |
|---|---|
| Molecular Weight | 498.92 g/mol |
| LogP | 4.5093 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.9201 |
| Heavy Atoms | 26 |
| Complexity | 870.54706 |
Chemical Identifiers
| CAS Number | 6947-17-7 |
|---|---|
| SMILES | CC(=O)NC(=S)NC1=CC=C(C=C1)N=CC2=C(C(=CC(=C2Br)Br)OC)O |
Product Overview
N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide (CAS 6947-17-7), with molecular formula C17H15Br2N3O3S and molecular weight 498.92 g/mol. IUPAC: N-[[4-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]carbamothioyl]acetamide.
Chemical Property Profile of N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide
Property Insights of N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide
The XLogP value of 4.5093 indicates that N-[[4-[(2,3-dibromo-5-methoxy-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-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide. Following Lipinski's Rule of Five, N-[[4-[(2,3-dibromo-5-methoxy-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-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
The CAS number of N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide is 6947-17-7.
What is the molecular formula of N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
The molecular formula of N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide is C17H15Br2N3O3S.
What is the molecular weight of N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
The molecular weight of N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide is 498.92 g/mol.
Where can I buy N-[[4-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
You can request a quote for N-[[4-[(2,3-dibromo-5-methoxy-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-[(2,3-dibromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-[(2,3-dibromo-5-methoxy-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.