ChemDiv3_005407
TL;DR: ChemDiv3_005407 (CAS 840462-67-1) is a chemical compound with molecular formula C28H27ClN4O2 and molecular weight 486.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one
Also Known As: ChemDiv3_005407, IDI1_023317, 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one, 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1(2H)-one, 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one
| Molecular Formula | C28H27ClN4O2 |
|---|---|
| Molecular Weight | 486.18 g/mol |
| LogP | 4.4514 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.18225 |
| Heavy Atoms | 35 |
| Complexity | 1378.0042 |
Chemical Identifiers
| CAS Number | 840462-67-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv3_005407 (CAS 840462-67-1), with molecular formula C28H27ClN4O2 and molecular weight 486.18 g/mol. IUPAC: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one.
Chemical Property Profile of ChemDiv3_005407
Property Insights of ChemDiv3_005407
The XLogP value of 4.4514 indicates that ChemDiv3_005407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, ChemDiv3_005407 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005407 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 ChemDiv3_005407?
The CAS number of ChemDiv3_005407 is 840462-67-1.
What is the molecular formula of ChemDiv3_005407?
The molecular formula of ChemDiv3_005407 is C28H27ClN4O2.
What is the molecular weight of ChemDiv3_005407?
The molecular weight of ChemDiv3_005407 is 486.18 g/mol.
Where can I buy ChemDiv3_005407?
You can request a quote for ChemDiv3_005407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005407?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.