![1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE structure](/static/products/714/714917-53-0.png)
1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
TL;DR: 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 714917-53-0) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-(butan-2-yl)-4-(2-methoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol, 1-(butan-2-yl)-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 1-(sec-butyl)-3-hydroxy-4-(2-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-butan-2-yl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.9307 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 811.65234 |
Chemical Identifiers
| CAS Number | 714917-53-0 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3OC)C(=O)N1 |
Product Overview
1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 714917-53-0), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: 1-butan-2-yl-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
Property Insights of 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
The XLogP value of 2.9307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE. Following Lipinski's Rule of Five, 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE 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 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The CAS number of 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 714917-53-0.
What is the molecular formula of 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular formula of 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is C17H21N3O3S.
What is the molecular weight of 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular weight of 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 347.13 g/mol.
Where can I buy 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
You can request a quote for 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
Yes, KEHONG BIO provides custom synthesis services for 1-(BUTAN-2-YL)-3-HYDROXY-4-(2-METHOXYPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.