RefChem:1057788
TL;DR: RefChem:1057788 (CAS 110406-35-4) is a chemical compound with molecular formula C30H28ClN3O2 and molecular weight 497.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enoyl]azepan-4-yl]phthalazin-1-one
Also Known As: 1H-Azepine, hexahydro-4-(4-((4-chlorophenyl)methyl)-1-oxo-2(1H)-phthalazinyl)-1-(1-oxo-3-phenyl-2-propenyl)-, 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enoyl]azepan-4-yl]phthalazin-1-one, RefChem:1057788
| Molecular Formula | C30H28ClN3O2 |
|---|---|
| Molecular Weight | 497.19 g/mol |
| LogP | 5.9077 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.187 |
| Heavy Atoms | 36 |
| Complexity | 1445.0458 |
Chemical Identifiers
| CAS Number | 110406-35-4 |
|---|---|
| SMILES | C1CC(CCN(C1)C(=O)/C=C/C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl |
Product Overview
RefChem:1057788 (CAS 110406-35-4), with molecular formula C30H28ClN3O2 and molecular weight 497.19 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enoyl]azepan-4-yl]phthalazin-1-one.
Chemical Property Profile of RefChem:1057788
Property Insights of RefChem:1057788
The XLogP value of 5.9077 indicates that RefChem:1057788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, RefChem:1057788 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057788 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 RefChem:1057788?
The CAS number of RefChem:1057788 is 110406-35-4.
What is the molecular formula of RefChem:1057788?
The molecular formula of RefChem:1057788 is C30H28ClN3O2.
What is the molecular weight of RefChem:1057788?
The molecular weight of RefChem:1057788 is 497.19 g/mol.
Where can I buy RefChem:1057788?
You can request a quote for RefChem:1057788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057788?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.