RefChem:485739
TL;DR: RefChem:485739 (CAS 303062-94-4) is a chemical compound with molecular formula C20H20Br2Cl3N3O4S and molecular weight 660.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(2,4-dibromo-5-methylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 3,4,5-TRIMETHOXY-N-(2,2,2-TRICHLORO-1-{[(2,4-DIBROMO-5-METHYLANILINO)CARBOTHIOYL]AMINO}ETHYL)BENZAMIDE, 3,4,5-TRIMETHOXY-N-(2,2,2-TRICHLORO-1-(((2,4-DIBROMO-5-METHYLANILINO)CARBOTHIOYL)AMINO)ETHYL)BENZAMIDE, 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(2,4-dibromo-5-methylphenyl)carbamothioylamino]ethyl]benzamide, 656-987-9, RefChem:485739
| Molecular Formula | C20H20Br2Cl3N3O4S |
|---|---|
| Molecular Weight | 660.86 g/mol |
| LogP | 5.95852 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 660.8607 |
| Heavy Atoms | 33 |
| Complexity | 1028.9407 |
Chemical Identifiers
| CAS Number | 303062-94-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Br)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
RefChem:485739 (CAS 303062-94-4), with molecular formula C20H20Br2Cl3N3O4S and molecular weight 660.86 g/mol. IUPAC: 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(2,4-dibromo-5-methylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of RefChem:485739
Property Insights of RefChem:485739
The XLogP value of 5.95852 indicates that RefChem:485739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:485739. Following Lipinski's Rule of Five, RefChem:485739 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:485739?
The CAS number of RefChem:485739 is 303062-94-4.
What is the molecular formula of RefChem:485739?
The molecular formula of RefChem:485739 is C20H20Br2Cl3N3O4S.
What is the molecular weight of RefChem:485739?
The molecular weight of RefChem:485739 is 660.86 g/mol.
Where can I buy RefChem:485739?
You can request a quote for RefChem:485739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:485739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:485739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.