![1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one structure](/static/products/685/685122-08-1.png)
1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
TL;DR: 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one (CAS 685122-08-1) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-cyclohexyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(4-(allyloxy)phenyl)-1-cyclohexyl-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 4.0211 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 909.9673 |
Chemical Identifiers
| CAS Number | 685122-08-1 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4 |
Product Overview
1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one (CAS 685122-08-1), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: 1-cyclohexyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Property Insights of 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
The XLogP value of 4.0211 indicates that 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one. Following Lipinski's Rule of Five, 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-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-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one?
The CAS number of 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one is 685122-08-1.
What is the molecular formula of 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one?
The molecular formula of 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one is C21H25N3O3S.
What is the molecular weight of 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one?
The molecular weight of 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one is 399.16 g/mol.
Where can I buy 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one?
You can request a quote for 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.