ChemDiv1_025850
TL;DR: ChemDiv1_025850 (CAS 312518-35-7) is a chemical compound with molecular formula C35H29Cl2N3O and molecular weight 577.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_025850, A1975/0083104, 5-[1-(3,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 5-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-{1-[(3,4-DICHLOROPHENYL)METHYL]-3-PHENYL-1H-PYRAZOL-4-YL}-2,2-DIMETHYL-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONE
| Molecular Formula | C35H29Cl2N3O |
|---|---|
| Molecular Weight | 577.17 g/mol |
| LogP | 9.3679 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 577.16876 |
| Heavy Atoms | 41 |
| Complexity | 1869.7233 |
Chemical Identifiers
| CAS Number | 312518-35-7 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CN(N=C5C6=CC=CC=C6)CC7=CC(=C(C=C7)Cl)Cl)C(=O)C1)C |
Product Overview
ChemDiv1_025850 (CAS 312518-35-7), with molecular formula C35H29Cl2N3O and molecular weight 577.17 g/mol. IUPAC: 5-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_025850
Property Insights of ChemDiv1_025850
The XLogP value of 9.3679 indicates that ChemDiv1_025850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, ChemDiv1_025850 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025850 has 1 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 ChemDiv1_025850?
The CAS number of ChemDiv1_025850 is 312518-35-7.
What is the molecular formula of ChemDiv1_025850?
The molecular formula of ChemDiv1_025850 is C35H29Cl2N3O.
What is the molecular weight of ChemDiv1_025850?
The molecular weight of ChemDiv1_025850 is 577.17 g/mol.
Where can I buy ChemDiv1_025850?
You can request a quote for ChemDiv1_025850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025850?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.