3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
TL;DR: 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione (CAS 81215-69-2) is a chemical compound with molecular formula C19H18ClN3O2 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Also Known As: 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione, 3-[(4-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione, 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione, 3-[(4-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triaze, 1H-[1,2,5]Triazepino[1,2-b]phthalazine-1,5(2H)-dione, 3-[(4-chlorophenyl)methyl]-3,4,7,12-tetrahydro-
| Molecular Formula | C19H18ClN3O2 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.10876 |
| Heavy Atoms | 25 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 81215-69-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2CN3N1C(=O)CN(CC3=O)CC4=CC=C(C=C4)Cl |
| InChIKey | UINHGWHMJLILRO-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione (CAS 81215-69-2), with molecular formula C19H18ClN3O2 and molecular weight 355.11 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione.
Chemical Property Profile of 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
Property Insights of 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorobenzyl)-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 43.9 Ų, 3-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-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 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 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
The CAS number of 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione is 81215-69-2.
What is the molecular formula of 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
The molecular formula of 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione is C19H18ClN3O2.
What is the molecular weight of 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione?
The molecular weight of 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione is 355.11 g/mol.
Where can I buy 3-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-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.