BAS 05436798
TL;DR: BAS 05436798 (CAS 797767-90-9) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: BAS 05436798, 1-(butan-2-yl)-3-hydroxy-4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(sec-butyl)-3-hydroxy-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-butan-2-yl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.9307 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 794.40234 |
Chemical Identifiers
| CAS Number | 797767-90-9 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC)C(=O)N1 |
Product Overview
BAS 05436798 (CAS 797767-90-9), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: 1-butan-2-yl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of BAS 05436798
Property Insights of BAS 05436798
The XLogP value of 2.9307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05436798. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05436798. Following Lipinski's Rule of Five, BAS 05436798 has 2 hydrogen bond donor(s) and 4 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 05436798?
The CAS number of BAS 05436798 is 797767-90-9.
What is the molecular formula of BAS 05436798?
The molecular formula of BAS 05436798 is C17H21N3O3S.
What is the molecular weight of BAS 05436798?
The molecular weight of BAS 05436798 is 347.13 g/mol.
Where can I buy BAS 05436798?
You can request a quote for BAS 05436798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05436798?
Yes, KEHONG BIO provides custom synthesis services for BAS 05436798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.