A3757/0159325
TL;DR: A3757/0159325 (CAS 672913-64-3) is a chemical compound with molecular formula C16H18FN3O2S and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3757/0159325, 1-butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-(BUTAN-2-YL)-4-(4-FLUOROPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-(butan-2-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(butan-2-yl)-4-(4-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C16H18FN3O2S |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 3.0612 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.11038 |
| Heavy Atoms | 23 |
| Complexity | 781.6133 |
Chemical Identifiers
| CAS Number | 672913-64-3 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)F)C(=O)N1 |
Product Overview
A3757/0159325 (CAS 672913-64-3), with molecular formula C16H18FN3O2S and molecular weight 335.11 g/mol. IUPAC: 1-butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3757/0159325
Property Insights of A3757/0159325
The XLogP value of 3.0612 indicates that A3757/0159325 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 A3757/0159325. Following Lipinski's Rule of Five, A3757/0159325 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 A3757/0159325?
The CAS number of A3757/0159325 is 672913-64-3.
What is the molecular formula of A3757/0159325?
The molecular formula of A3757/0159325 is C16H18FN3O2S.
What is the molecular weight of A3757/0159325?
The molecular weight of A3757/0159325 is 335.11 g/mol.
Where can I buy A3757/0159325?
You can request a quote for A3757/0159325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3757/0159325?
Yes, KEHONG BIO provides custom synthesis services for A3757/0159325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.