RefChem:203248
TL;DR: RefChem:203248 (CAS 86126-27-4) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Also Known As: Tetrahydro-3-(4-methylphenyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, 1H,7H-Pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, tetrahydro-3-(4-methylphenyl)-, 3-(4-methylphenyl)tetrahydro-1h,7h-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2h)-dione, 3-(4-methylphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2, 3-(4-methylphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 86126-27-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC(=O)N3CCCN3C(=O)C2 |
| InChIKey | UYJFZMNKAVOSNS-UHFFFAOYSA-N |
Product Overview
RefChem:203248 (CAS 86126-27-4), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: 3-(4-methylphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione.
Chemical Property Profile of RefChem:203248
Property Insights of RefChem:203248
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:203248. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:203248 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:203248 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:203248?
The CAS number of RefChem:203248 is 86126-27-4.
What is the molecular formula of RefChem:203248?
The molecular formula of RefChem:203248 is C14H17N3O2.
What is the molecular weight of RefChem:203248?
The molecular weight of RefChem:203248 is 259.13 g/mol.
Where can I buy RefChem:203248?
You can request a quote for RefChem:203248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203248?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.