RefChem:236863
TL;DR: RefChem:236863 (CAS 86126-25-2) is a chemical compound with molecular formula C14H16ClN3O2 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Also Known As: 1H,7H-Pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, tetrahydro-3-((4-chlorophenyl)methyl)-, 3-(4-chlorobenzyl)tetrahydro-1h,7h-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2h)-dione, Tetrahydro-3-((4-chlorophenyl)methyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, 3-[(4-chlorophenyl)methyl]-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione, 3-(4-Chlorobenzyl)tetrahydropyrazolo[1,2-a][1,2,5]triazepine-1,5(2H,7H)-dione
| Molecular Formula | C14H16ClN3O2 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0931 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 86126-25-2 |
|---|---|
| SMILES | C1CN2C(=O)CN(CC(=O)N2C1)CC3=CC=C(C=C3)Cl |
| InChIKey | XWFGGHIYFIBTHQ-UHFFFAOYSA-N |
Product Overview
RefChem:236863 (CAS 86126-25-2), with molecular formula C14H16ClN3O2 and molecular weight 293.09 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione.
Chemical Property Profile of RefChem:236863
Property Insights of RefChem:236863
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236863. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:236863 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236863 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 RefChem:236863?
The CAS number of RefChem:236863 is 86126-25-2.
What is the molecular formula of RefChem:236863?
The molecular formula of RefChem:236863 is C14H16ClN3O2.
What is the molecular weight of RefChem:236863?
The molecular weight of RefChem:236863 is 293.09 g/mol.
Where can I buy RefChem:236863?
You can request a quote for RefChem:236863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.