A3758/0159331
TL;DR: A3758/0159331 (CAS 579441-31-9) is a chemical compound with molecular formula C17H20FN3O2S and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3758/0159331, 4-(4-fluorophenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-FLUOROPHENYL)-3-HYDROXY-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-yl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C17H20FN3O2S |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 3.4513 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.12604 |
| Heavy Atoms | 24 |
| Complexity | 793.1572 |
Chemical Identifiers
| CAS Number | 579441-31-9 |
|---|---|
| SMILES | CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)F)C(=O)N1 |
Product Overview
A3758/0159331 (CAS 579441-31-9), with molecular formula C17H20FN3O2S and molecular weight 349.13 g/mol. IUPAC: 4-(4-fluorophenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3758/0159331
Property Insights of A3758/0159331
The XLogP value of 3.4513 indicates that A3758/0159331 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 A3758/0159331. Following Lipinski's Rule of Five, A3758/0159331 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 A3758/0159331?
The CAS number of A3758/0159331 is 579441-31-9.
What is the molecular formula of A3758/0159331?
The molecular formula of A3758/0159331 is C17H20FN3O2S.
What is the molecular weight of A3758/0159331?
The molecular weight of A3758/0159331 is 349.13 g/mol.
Where can I buy A3758/0159331?
You can request a quote for A3758/0159331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3758/0159331?
Yes, KEHONG BIO provides custom synthesis services for A3758/0159331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.