ChemDiv1_019912
TL;DR: ChemDiv1_019912 (CAS 312632-46-5) is a chemical compound with molecular formula C33H26ClF2NO4 and molecular weight 573.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate
Also Known As: ChemDiv1_019912, BAS 00548040, 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate, A1475/0065058, [4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate
| Molecular Formula | C33H26ClF2NO4 |
|---|---|
| Molecular Weight | 573.15 g/mol |
| LogP | 8.3087 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 573.15186 |
| Heavy Atoms | 41 |
| Complexity | 1796.0408 |
Chemical Identifiers
| CAS Number | 312632-46-5 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)OC(=O)C6=CC(=C(C=C6Cl)F)F)OC)C(=O)C1)C |
Product Overview
ChemDiv1_019912 (CAS 312632-46-5), with molecular formula C33H26ClF2NO4 and molecular weight 573.15 g/mol. IUPAC: [4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate.
Chemical Property Profile of ChemDiv1_019912
Property Insights of ChemDiv1_019912
The XLogP value of 8.3087 indicates that ChemDiv1_019912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019912. Following Lipinski's Rule of Five, ChemDiv1_019912 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019912?
The CAS number of ChemDiv1_019912 is 312632-46-5.
What is the molecular formula of ChemDiv1_019912?
The molecular formula of ChemDiv1_019912 is C33H26ClF2NO4.
What is the molecular weight of ChemDiv1_019912?
The molecular weight of ChemDiv1_019912 is 573.15 g/mol.
Where can I buy ChemDiv1_019912?
You can request a quote for ChemDiv1_019912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019912?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.