RefChem:1099682
TL;DR: RefChem:1099682 (CAS 86126-23-0) is a chemical compound with molecular formula C11H19N3O2 and molecular weight 225.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Also Known As: Tetrahydro-3-(2-methylpropyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, 3-Isobutyltetrahydro-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-(2-methylpropyl)-, 3-(2-methylpropyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2, 3-(2-methylpropyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
| Molecular Formula | C11H19N3O2 |
|---|---|
| Molecular Weight | 225.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.14772 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 86126-23-0 |
|---|---|
| SMILES | CC(C)CN1CC(=O)N2CCCN2C(=O)C1 |
| InChIKey | HKQIXBBMSZLOQN-UHFFFAOYSA-N |
Product Overview
RefChem:1099682 (CAS 86126-23-0), with molecular formula C11H19N3O2 and molecular weight 225.15 g/mol. IUPAC: 3-(2-methylpropyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione.
Chemical Property Profile of RefChem:1099682
Property Insights of RefChem:1099682
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099682. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:1099682 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1099682 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:1099682?
The CAS number of RefChem:1099682 is 86126-23-0.
What is the molecular formula of RefChem:1099682?
The molecular formula of RefChem:1099682 is C11H19N3O2.
What is the molecular weight of RefChem:1099682?
The molecular weight of RefChem:1099682 is 225.15 g/mol.
Where can I buy RefChem:1099682?
You can request a quote for RefChem:1099682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099682?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.