![1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol structure](/static/products/713/713093-53-9.png)
1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
TL;DR: 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol (CAS 713093-53-9) is a chemical compound with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pentan-2-yl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol, 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 1-pentan-2-yl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 3-hydroxy-1-(pentan-2-yl)-4-(2-propoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C20H27N3O3S |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.1773 |
| Heavy Atoms | 27 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 713093-53-9 |
|---|---|
| SMILES | CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3OCCC)C(=O)N1 |
| InChIKey | ANRQTMZEWFHDRY-UHFFFAOYSA-N |
Product Overview
1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol (CAS 713093-53-9), with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol. IUPAC: 1-pentan-2-yl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Property Insights of 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
The XLogP value of 3.8 indicates that 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol. Following Lipinski's Rule of Five, 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol has 2 hydrogen bond donor(s) and 5 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-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
The CAS number of 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol is 713093-53-9.
What is the molecular formula of 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
The molecular formula of 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol is C20H27N3O3S.
What is the molecular weight of 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
The molecular weight of 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol is 389.18 g/mol.
Where can I buy 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
You can request a quote for 1-(pentan-2-yl)-4-(2-propoxyphenyl)-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 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-(pentan-2-yl)-4-(2-propoxyphenyl)-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.