ChemDiv1_020766
TL;DR: ChemDiv1_020766 (CAS 330841-83-3) is a chemical compound with molecular formula C29H24ClNO2 and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(4-chlorophenyl)furan-2-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_020766, BAS 00548151, 5-[5-(4-chlorophenyl)furan-2-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, A0381/0017510, 5-[5-(4-chlorophenyl)-2-furyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C29H24ClNO2 |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 8.0627 |
| Topological Polar Surface Area | 42.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.14957 |
| Heavy Atoms | 33 |
| Complexity | 1442.2706 |
Chemical Identifiers
| CAS Number | 330841-83-3 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(O5)C6=CC=C(C=C6)Cl)C(=O)C1)C |
Product Overview
ChemDiv1_020766 (CAS 330841-83-3), with molecular formula C29H24ClNO2 and molecular weight 453.15 g/mol. IUPAC: 5-[5-(4-chlorophenyl)furan-2-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_020766
Property Insights of ChemDiv1_020766
The XLogP value of 8.0627 indicates that ChemDiv1_020766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.24 Ų, ChemDiv1_020766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_020766 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_020766?
The CAS number of ChemDiv1_020766 is 330841-83-3.
What is the molecular formula of ChemDiv1_020766?
The molecular formula of ChemDiv1_020766 is C29H24ClNO2.
What is the molecular weight of ChemDiv1_020766?
The molecular weight of ChemDiv1_020766 is 453.15 g/mol.
Where can I buy ChemDiv1_020766?
You can request a quote for ChemDiv1_020766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020766?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.