3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
TL;DR: 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione (CAS 81215-80-7) is a chemical compound with molecular formula C19H26N4O2 and molecular weight 342.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-piperidin-1-ylethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Also Known As: 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione, 3-(2-(Piperidin-1-yl)ethyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione, 3-(2-piperidin-1-ylethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione, 1H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-(2-(1-PIPERIDINYL)ETHYL)-, 3-(2-PIPERIDIN-1-YLETHYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE
| Molecular Formula | C19H26N4O2 |
|---|---|
| Molecular Weight | 342.21 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.20557 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 81215-80-7 |
|---|---|
| SMILES | C1CCN(CC1)CCN2CC(=O)N3CC4=CC=CC=C4CN3C(=O)C2 |
| InChIKey | YHILIFSWFBZPBA-UHFFFAOYSA-N |
Product Overview
3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione (CAS 81215-80-7), with molecular formula C19H26N4O2 and molecular weight 342.21 g/mol. IUPAC: 3-(2-piperidin-1-ylethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione.
Chemical Property Profile of 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
Property Insights of 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione. With a topological polar surface area (TPSA) of 47.1 Ų, 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione has 0 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 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
The CAS number of 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione is 81215-80-7.
What is the molecular formula of 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
The molecular formula of 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione is C19H26N4O2.
What is the molecular weight of 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
The molecular weight of 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione is 342.21 g/mol.
Where can I buy 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
You can request a quote for 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.