![4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol structure](/static/products/714/714948-36-4.png)
4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
TL;DR: 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol (CAS 714948-36-4) 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.
4-(2-ethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol, 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 4-(2-ethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(2-ethoxyphenyl)-3-hydroxy-1-isopropyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| 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 | 809.65234 |
Chemical Identifiers
| CAS Number | 714948-36-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C |
Product Overview
4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol (CAS 714948-36-4), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: 4-(2-ethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Property Insights of 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
The XLogP value of 2.9307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol. Following Lipinski's Rule of Five, 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol 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 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
The CAS number of 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol is 714948-36-4.
What is the molecular formula of 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
The molecular formula of 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol is C17H21N3O3S.
What is the molecular weight of 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
The molecular weight of 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol is 347.13 g/mol.
Where can I buy 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
You can request a quote for 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-ethoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.