ChemDiv1_019916
TL;DR: ChemDiv1_019916 (CAS 312632-75-0) is a chemical compound with molecular formula C34H29ClN2O and molecular weight 516.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_019916, BAS 00620163, NCI60_040572, A1559/0067915, 5-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C34H29ClN2O |
|---|---|
| Molecular Weight | 516.20 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.19684 |
| Heavy Atoms | 38 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 312632-75-0 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CN(C6=CC=CC=C65)CC7=CC=C(C=C7)Cl)C(=O)C1)C |
| InChIKey | OREQNSPAFLLDAI-UHFFFAOYSA-N |
Product Overview
ChemDiv1_019916 (CAS 312632-75-0), with molecular formula C34H29ClN2O and molecular weight 516.20 g/mol. IUPAC: 5-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_019916
Property Insights of ChemDiv1_019916
The XLogP value of 7.7 indicates that ChemDiv1_019916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.0 Ų, ChemDiv1_019916 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_019916 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019916?
The CAS number of ChemDiv1_019916 is 312632-75-0.
What is the molecular formula of ChemDiv1_019916?
The molecular formula of ChemDiv1_019916 is C34H29ClN2O.
What is the molecular weight of ChemDiv1_019916?
The molecular weight of ChemDiv1_019916 is 516.20 g/mol.
Where can I buy ChemDiv1_019916?
You can request a quote for ChemDiv1_019916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019916?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.