BAS 00087441
TL;DR: BAS 00087441 (CAS 162331-18-2) is a chemical compound with molecular formula C18H24Cl6N4O2S2 and molecular weight 601.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-[2,2,2-trichloro-1-[2-[2,2,2-trichloro-1-(2,2-dimethylpropanoylamino)ethyl]sulfanylpyrimidin-4-yl]sulfanylethyl]propanamide
Also Known As: BAS 00087441, F0020-0187, 2,2-dimethyl-N-{2,2,2-trichloro-1-[(2-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]sulfanyl}pyrimidin-4-yl)sulfanyl]ethyl}propanamide, N,N'-((pyrimidine-2,4-diylbis(sulfanediyl))bis(2,2,2-trichloroethane-1,1-diyl))bis(2,2-dimethylpropanamide), 2,2-dimethyl-N-[2,2,2-trichloro-1-[2-[2,2,2-trichloro-1-(2,2-dimethylpropanoylamino)ethyl]sulfanylpyrimidin-4-yl]sulfanylethyl]propanamide
| Molecular Formula | C18H24Cl6N4O2S2 |
|---|---|
| Molecular Weight | 601.95 g/mol |
| LogP | 6.378 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 601.9472 |
| Heavy Atoms | 32 |
| Complexity | 756.15375 |
Chemical Identifiers
| CAS Number | 162331-18-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)SC1=NC(=NC=C1)SC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C |
Product Overview
BAS 00087441 (CAS 162331-18-2), with molecular formula C18H24Cl6N4O2S2 and molecular weight 601.95 g/mol. IUPAC: 2,2-dimethyl-N-[2,2,2-trichloro-1-[2-[2,2,2-trichloro-1-(2,2-dimethylpropanoylamino)ethyl]sulfanylpyrimidin-4-yl]sulfanylethyl]propanamide.
Chemical Property Profile of BAS 00087441
Property Insights of BAS 00087441
The XLogP value of 6.378 indicates that BAS 00087441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00087441. Following Lipinski's Rule of Five, BAS 00087441 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00087441?
The CAS number of BAS 00087441 is 162331-18-2.
What is the molecular formula of BAS 00087441?
The molecular formula of BAS 00087441 is C18H24Cl6N4O2S2.
What is the molecular weight of BAS 00087441?
The molecular weight of BAS 00087441 is 601.95 g/mol.
Where can I buy BAS 00087441?
You can request a quote for BAS 00087441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00087441?
Yes, KEHONG BIO provides custom synthesis services for BAS 00087441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.