RefChem:571666
TL;DR: RefChem:571666 (CAS 303062-63-7) is a chemical compound with molecular formula C21H21BrCl3N3O3S and molecular weight 578.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]carbamothioylamino]benzoate
Also Known As: BUTYL 4-{[({1-[(4-BROMOBENZOYL)AMINO]-2,2,2-TRICHLOROETHYL}AMINO)CARBOTHIOYL]AMINO}BENZOATE, Butyl 4-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloro-ethyl]thiocarbamoylamino]benzoate, butyl 4-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]carbamothioylamino]benzoate, 661-071-7, BUTYL 4-((((1-((4-BROMOBENZOYL)AMINO)-2,2,2-TRICHLOROETHYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
| Molecular Formula | C21H21BrCl3N3O3S |
|---|---|
| Molecular Weight | 578.96 g/mol |
| LogP | 5.8187 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.95526 |
| Heavy Atoms | 32 |
| Complexity | 938.0463 |
Chemical Identifiers
| CAS Number | 303062-63-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)Br |
Product Overview
RefChem:571666 (CAS 303062-63-7), with molecular formula C21H21BrCl3N3O3S and molecular weight 578.96 g/mol. IUPAC: butyl 4-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]carbamothioylamino]benzoate.
Chemical Property Profile of RefChem:571666
Property Insights of RefChem:571666
The XLogP value of 5.8187 indicates that RefChem:571666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:571666. Following Lipinski's Rule of Five, RefChem:571666 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:571666?
The CAS number of RefChem:571666 is 303062-63-7.
What is the molecular formula of RefChem:571666?
The molecular formula of RefChem:571666 is C21H21BrCl3N3O3S.
What is the molecular weight of RefChem:571666?
The molecular weight of RefChem:571666 is 578.96 g/mol.
Where can I buy RefChem:571666?
You can request a quote for RefChem:571666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:571666?
Yes, KEHONG BIO provides custom synthesis services for RefChem:571666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.