BAS 05436777
TL;DR: BAS 05436777 (CAS 797765-13-0) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: BAS 05436777, 1-(butan-2-yl)-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 1-(sec-butyl)-3-hydroxy-4-phenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-butan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
| Molecular Formula | C16H19N3O2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.9221 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1198 |
| Heavy Atoms | 22 |
| Complexity | 735.59436 |
Chemical Identifiers
| CAS Number | 797765-13-0 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1 |
Product Overview
BAS 05436777 (CAS 797765-13-0), with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol. IUPAC: 1-butan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of BAS 05436777
Property Insights of BAS 05436777
The XLogP value of 2.9221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05436777. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05436777. Following Lipinski's Rule of Five, BAS 05436777 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 05436777?
The CAS number of BAS 05436777 is 797765-13-0.
What is the molecular formula of BAS 05436777?
The molecular formula of BAS 05436777 is C16H19N3O2S.
What is the molecular weight of BAS 05436777?
The molecular weight of BAS 05436777 is 317.12 g/mol.
Where can I buy BAS 05436777?
You can request a quote for BAS 05436777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05436777?
Yes, KEHONG BIO provides custom synthesis services for BAS 05436777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.