BAS 05436844
TL;DR: BAS 05436844 (CAS 692261-47-5) is a chemical compound with molecular formula C19H25N3O3S and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: BAS 05436844, 1-butan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-(BUTAN-2-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-(butan-2-yl)-3-hydroxy-4-[4-(propan-2-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(sec-butyl)-3-hydroxy-4-(4-isopropoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C19H25N3O3S |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 3.7093 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.16165 |
| Heavy Atoms | 26 |
| Complexity | 838.7045 |
Chemical Identifiers
| CAS Number | 692261-47-5 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC(C)C)C(=O)N1 |
Product Overview
BAS 05436844 (CAS 692261-47-5), with molecular formula C19H25N3O3S and molecular weight 375.16 g/mol. IUPAC: 1-butan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of BAS 05436844
Property Insights of BAS 05436844
The XLogP value of 3.7093 indicates that BAS 05436844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05436844. Following Lipinski's Rule of Five, BAS 05436844 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 05436844?
The CAS number of BAS 05436844 is 692261-47-5.
What is the molecular formula of BAS 05436844?
The molecular formula of BAS 05436844 is C19H25N3O3S.
What is the molecular weight of BAS 05436844?
The molecular weight of BAS 05436844 is 375.16 g/mol.
Where can I buy BAS 05436844?
You can request a quote for BAS 05436844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05436844?
Yes, KEHONG BIO provides custom synthesis services for BAS 05436844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.