BAS 05436780
TL;DR: BAS 05436780 (CAS 692274-64-9) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: BAS 05436780, 4-(3,4-dimethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1-(PROPAN-2-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(3,4-dimethoxyphenyl)-3-hydroxy-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(3,4-dimethoxyphenyl)-3-hydroxy-1-isopropyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 2.5492 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 856.06323 |
Chemical Identifiers
| CAS Number | 692274-64-9 |
|---|---|
| SMILES | CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)N1 |
Product Overview
BAS 05436780 (CAS 692274-64-9), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of BAS 05436780
Property Insights of BAS 05436780
The XLogP value of 2.5492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05436780. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05436780. Following Lipinski's Rule of Five, BAS 05436780 has 2 hydrogen bond donor(s) and 5 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 05436780?
The CAS number of BAS 05436780 is 692274-64-9.
What is the molecular formula of BAS 05436780?
The molecular formula of BAS 05436780 is C17H21N3O4S.
What is the molecular weight of BAS 05436780?
The molecular weight of BAS 05436780 is 363.13 g/mol.
Where can I buy BAS 05436780?
You can request a quote for BAS 05436780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05436780?
Yes, KEHONG BIO provides custom synthesis services for BAS 05436780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.