ChemDiv1_020034
TL;DR: ChemDiv1_020034 (CAS 313984-46-2) is a chemical compound with molecular formula C27H27NO3 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,3-dimethoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_020034, BAS 00549732, 5-(2,3-dimethoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-(2,3-dimethoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, A1879/0079097
| Molecular Formula | C27H27NO3 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 6.1665 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.1991 |
| Heavy Atoms | 31 |
| Complexity | 1238.4602 |
Chemical Identifiers
| CAS Number | 313984-46-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C(=CC=C5)OC)OC)C(=O)C1)C |
Product Overview
ChemDiv1_020034 (CAS 313984-46-2), with molecular formula C27H27NO3 and molecular weight 413.20 g/mol. IUPAC: 5-(2,3-dimethoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_020034
Property Insights of ChemDiv1_020034
The XLogP value of 6.1665 indicates that ChemDiv1_020034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, ChemDiv1_020034 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_020034 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020034?
The CAS number of ChemDiv1_020034 is 313984-46-2.
What is the molecular formula of ChemDiv1_020034?
The molecular formula of ChemDiv1_020034 is C27H27NO3.
What is the molecular weight of ChemDiv1_020034?
The molecular weight of ChemDiv1_020034 is 413.20 g/mol.
Where can I buy ChemDiv1_020034?
You can request a quote for ChemDiv1_020034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020034?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.