ChemDiv1_024022
TL;DR: ChemDiv1_024022 (CAS 59166-15-3) is a chemical compound with molecular formula C15H16ClN3OS and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: ChemDiv1_024022, 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-Chlorophenyl)-1,3,8-trimethyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]th, RefChem:357326
| Molecular Formula | C15H16ClN3OS |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.07025 |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 59166-15-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2C)C3=CC=C(C=C3)Cl)C |
| InChIKey | HTCOMBLJKZMIOS-UHFFFAOYSA-N |
Product Overview
ChemDiv1_024022 (CAS 59166-15-3), with molecular formula C15H16ClN3OS and molecular weight 321.07 g/mol. IUPAC: 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of ChemDiv1_024022
Property Insights of ChemDiv1_024022
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024022. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024022. Following Lipinski's Rule of Five, ChemDiv1_024022 has 0 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 ChemDiv1_024022?
The CAS number of ChemDiv1_024022 is 59166-15-3.
What is the molecular formula of ChemDiv1_024022?
The molecular formula of ChemDiv1_024022 is C15H16ClN3OS.
What is the molecular weight of ChemDiv1_024022?
The molecular weight of ChemDiv1_024022 is 321.07 g/mol.
Where can I buy ChemDiv1_024022?
You can request a quote for ChemDiv1_024022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024022?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.