BAS 05436784
TL;DR: BAS 05436784 (CAS 797015-58-8) is a chemical compound with molecular formula C16H18ClN3O2S and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(4-chlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: BAS 05436784, 1-butan-2-yl-4-(4-chlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-(BUTAN-2-YL)-4-(4-CHLOROPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-(butan-2-yl)-4-(4-chlorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(sec-butyl)-4-(4-chlorophenyl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C16H18ClN3O2S |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 3.5755 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0808 |
| Heavy Atoms | 23 |
| Complexity | 781.6133 |
Chemical Identifiers
| CAS Number | 797015-58-8 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)N1 |
Product Overview
BAS 05436784 (CAS 797015-58-8), with molecular formula C16H18ClN3O2S and molecular weight 351.08 g/mol. IUPAC: 1-butan-2-yl-4-(4-chlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of BAS 05436784
Property Insights of BAS 05436784
The XLogP value of 3.5755 indicates that BAS 05436784 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 05436784. Following Lipinski's Rule of Five, BAS 05436784 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 05436784?
The CAS number of BAS 05436784 is 797015-58-8.
What is the molecular formula of BAS 05436784?
The molecular formula of BAS 05436784 is C16H18ClN3O2S.
What is the molecular weight of BAS 05436784?
The molecular weight of BAS 05436784 is 351.08 g/mol.
Where can I buy BAS 05436784?
You can request a quote for BAS 05436784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05436784?
Yes, KEHONG BIO provides custom synthesis services for BAS 05436784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.