4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone
TL;DR: 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone (CAS 110406-79-6) is a chemical compound with molecular formula C29H31N3O and molecular weight 437.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylazepan-4-yl)-4-[(4-methylphenyl)methyl]phthalazin-1-one
Also Known As: 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone, 1(2H)-Phthalazinone, 2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-4-((4-methylphenyl)methyl)-, 2-(1-Benzylazepan-4-yl)-4-[(4-methylphenyl)methyl]phthalazin-1(2H)-one, 2-(1-benzylazepan-4-yl)-4-[(4-methylphenyl)methyl]phthalazin-1-one, RefChem:211561
| Molecular Formula | C29H31N3O |
|---|---|
| Molecular Weight | 437.25 g/mol |
| LogP | 5.52292 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.2467 |
| Heavy Atoms | 33 |
| Complexity | 1278.0123 |
Chemical Identifiers
| CAS Number | 110406-79-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)C4CCCN(CC4)CC5=CC=CC=C5 |
Product Overview
4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone (CAS 110406-79-6), with molecular formula C29H31N3O and molecular weight 437.25 g/mol. IUPAC: 2-(1-benzylazepan-4-yl)-4-[(4-methylphenyl)methyl]phthalazin-1-one.
Chemical Property Profile of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone
Property Insights of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone
The XLogP value of 5.52292 indicates that 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone?
The CAS number of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone is 110406-79-6.
What is the molecular formula of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone?
The molecular formula of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone is C29H31N3O.
What is the molecular weight of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone?
The molecular weight of 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone is 437.25 g/mol.
Where can I buy 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone?
You can request a quote for 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylbenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.