BAS 00245269
TL;DR: BAS 00245269 (CAS 294668-41-0) is a chemical compound with molecular formula C23H28Cl2N2O6S4 and molecular weight 626.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-N-[[3-[2-(4-chlorophenyl)sulfanylethylsulfonyl]propanoylamino]methyl]propanamide
Also Known As: BAS 00245269, UPCMLD0ENAT0504-2347:001, 3-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-N-[[3-[2-(4-chlorophenyl)sulfanylethylsulfonyl]propanoylamino]methyl]propanamide, N,N'-methanediylbis[3-({2-[(4-chlorophenyl)sulfanyl]ethyl}sulfonyl)propanamide], 3-{[2-(4-chlorophenylthio)ethyl]sulfonyl}-N-[(3-{[2-(4-chlorophenylthio)ethyl] sulfonyl}propanoylamino)methyl]propanamide
| Molecular Formula | C23H28Cl2N2O6S4 |
|---|---|
| Molecular Weight | 626.02 g/mol |
| LogP | 3.6775 |
| Topological Polar Surface Area | 126.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 626.02075 |
| Heavy Atoms | 37 |
| Complexity | 1141.5024 |
Chemical Identifiers
| CAS Number | 294668-41-0 |
|---|---|
| SMILES | C1=CC(=CC=C1SCCS(=O)(=O)CCC(=O)NCNC(=O)CCS(=O)(=O)CCSC2=CC=C(C=C2)Cl)Cl |
Product Overview
BAS 00245269 (CAS 294668-41-0), with molecular formula C23H28Cl2N2O6S4 and molecular weight 626.02 g/mol. IUPAC: 3-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-N-[[3-[2-(4-chlorophenyl)sulfanylethylsulfonyl]propanoylamino]methyl]propanamide.
Chemical Property Profile of BAS 00245269
Property Insights of BAS 00245269
The XLogP value of 3.6775 indicates that BAS 00245269 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00245269. Following Lipinski's Rule of Five, BAS 00245269 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00245269?
The CAS number of BAS 00245269 is 294668-41-0.
What is the molecular formula of BAS 00245269?
The molecular formula of BAS 00245269 is C23H28Cl2N2O6S4.
What is the molecular weight of BAS 00245269?
The molecular weight of BAS 00245269 is 626.02 g/mol.
Where can I buy BAS 00245269?
You can request a quote for BAS 00245269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00245269?
Yes, KEHONG BIO provides custom synthesis services for BAS 00245269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.