ChemDiv1_003566
TL;DR: ChemDiv1_003566 (CAS 346459-27-6) is a chemical compound with molecular formula C28H29N5O4 and molecular weight 499.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one
Also Known As: ChemDiv1_003566, BIM-0001655.P001, 4-(3,4-dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one, 4-(3,4-dimethylphenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one, 4-(3,4-dimethylphenyl)-2-(5-(4-(2-hydroxyethyl)piperazin-1-yl)-2-nitrophenyl)phthalazin-1(2H)-one
| Molecular Formula | C28H29N5O4 |
|---|---|
| Molecular Weight | 499.22 g/mol |
| LogP | 3.69204 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.22195 |
| Heavy Atoms | 37 |
| Complexity | 1539.8763 |
Chemical Identifiers
| CAS Number | 346459-27-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)CCO)[N+](=O)[O-])C |
Product Overview
ChemDiv1_003566 (CAS 346459-27-6), with molecular formula C28H29N5O4 and molecular weight 499.22 g/mol. IUPAC: 4-(3,4-dimethylphenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one.
Chemical Property Profile of ChemDiv1_003566
Property Insights of ChemDiv1_003566
The XLogP value of 3.69204 indicates that ChemDiv1_003566 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003566. Following Lipinski's Rule of Five, ChemDiv1_003566 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_003566?
The CAS number of ChemDiv1_003566 is 346459-27-6.
What is the molecular formula of ChemDiv1_003566?
The molecular formula of ChemDiv1_003566 is C28H29N5O4.
What is the molecular weight of ChemDiv1_003566?
The molecular weight of ChemDiv1_003566 is 499.22 g/mol.
Where can I buy ChemDiv1_003566?
You can request a quote for ChemDiv1_003566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003566?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.