BAS 05436864
TL;DR: BAS 05436864 (CAS 667909-58-2) is a chemical compound with molecular formula C16H17Cl2N3O2S and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: BAS 05436864, 1-butan-2-yl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, AQ-161/41831063, 1-sec-butyl-4-(2,4-dichlorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(BUTAN-2-YL)-4-(2,4-DICHLOROPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
| Molecular Formula | C16H17Cl2N3O2S |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 4.2289 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.04184 |
| Heavy Atoms | 24 |
| Complexity | 846.33344 |
Chemical Identifiers
| CAS Number | 667909-58-2 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N1 |
Product Overview
BAS 05436864 (CAS 667909-58-2), with molecular formula C16H17Cl2N3O2S and molecular weight 385.04 g/mol. IUPAC: 1-butan-2-yl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of BAS 05436864
Property Insights of BAS 05436864
The XLogP value of 4.2289 indicates that BAS 05436864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05436864. Following Lipinski's Rule of Five, BAS 05436864 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05436864?
The CAS number of BAS 05436864 is 667909-58-2.
What is the molecular formula of BAS 05436864?
The molecular formula of BAS 05436864 is C16H17Cl2N3O2S.
What is the molecular weight of BAS 05436864?
The molecular weight of BAS 05436864 is 385.04 g/mol.
Where can I buy BAS 05436864?
You can request a quote for BAS 05436864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05436864?
Yes, KEHONG BIO provides custom synthesis services for BAS 05436864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.