BAS 00202440
TL;DR: BAS 00202440 (CAS 294658-26-7) is a chemical compound with molecular formula C20H20Cl3N3O4S2 and molecular weight 535.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]acetamide
Also Known As: BAS 00202440, 2-phenyl-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]acetamide, 2-phenyl-N-[2,2,2-trichloro-1-({[2-methoxy-4-(vinylsulfonyl)anilino]carbothioyl}amino)ethyl]acetamide, 2-PHENYL-N-[2,2,2-TRICHLORO-1-({[4-(ETHENESULFONYL)-2-METHOXYPHENYL]CARBAMOTHIOYL}AMINO)ETHYL]ACETAMIDE, 2-phenyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]acetamide
| Molecular Formula | C20H20Cl3N3O4S2 |
|---|---|
| Molecular Weight | 535.00 g/mol |
| LogP | 3.954 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.9961 |
| Heavy Atoms | 32 |
| Complexity | 1091.0139 |
Chemical Identifiers
| CAS Number | 294658-26-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)S(=O)(=O)C=C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2 |
Product Overview
BAS 00202440 (CAS 294658-26-7), with molecular formula C20H20Cl3N3O4S2 and molecular weight 535.00 g/mol. IUPAC: 2-phenyl-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]acetamide.
Chemical Property Profile of BAS 00202440
Property Insights of BAS 00202440
The XLogP value of 3.954 indicates that BAS 00202440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00202440. Following Lipinski's Rule of Five, BAS 00202440 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 BAS 00202440?
The CAS number of BAS 00202440 is 294658-26-7.
What is the molecular formula of BAS 00202440?
The molecular formula of BAS 00202440 is C20H20Cl3N3O4S2.
What is the molecular weight of BAS 00202440?
The molecular weight of BAS 00202440 is 535.00 g/mol.
Where can I buy BAS 00202440?
You can request a quote for BAS 00202440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00202440?
Yes, KEHONG BIO provides custom synthesis services for BAS 00202440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.