ChemDiv1_027212
TL;DR: ChemDiv1_027212 (CAS 296800-16-3) is a chemical compound with molecular formula C30H26ClNO2 and molecular weight 467.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_027212, BAS 00324454, 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-[5-(3-chloro-4-methylphenyl)-2-furyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C30H26ClNO2 |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 8.37112 |
| Topological Polar Surface Area | 42.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 467.1652 |
| Heavy Atoms | 34 |
| Complexity | 1507.5262 |
Chemical Identifiers
| CAS Number | 296800-16-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC=C(O2)C3C4=C(CC(CC4=O)(C)C)C5=C(N3)C=CC6=CC=CC=C65)Cl |
Product Overview
ChemDiv1_027212 (CAS 296800-16-3), with molecular formula C30H26ClNO2 and molecular weight 467.17 g/mol. IUPAC: 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_027212
Property Insights of ChemDiv1_027212
The XLogP value of 8.37112 indicates that ChemDiv1_027212 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_027212 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_027212 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_027212?
The CAS number of ChemDiv1_027212 is 296800-16-3.
What is the molecular formula of ChemDiv1_027212?
The molecular formula of ChemDiv1_027212 is C30H26ClNO2.
What is the molecular weight of ChemDiv1_027212?
The molecular weight of ChemDiv1_027212 is 467.17 g/mol.
Where can I buy ChemDiv1_027212?
You can request a quote for ChemDiv1_027212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027212?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.