ChemDiv1_025612
TL;DR: ChemDiv1_025612 (CAS 311783-52-5) is a chemical compound with molecular formula C28H29NO3 and molecular weight 427.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxy-3-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_025612, BAS 00548055, BIM-0020608.P001, 5-(4-ethoxy-3-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-(4-ethoxy-3-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C28H29NO3 |
|---|---|
| Molecular Weight | 427.21 g/mol |
| LogP | 6.5566 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.21475 |
| Heavy Atoms | 32 |
| Complexity | 1254.7672 |
Chemical Identifiers
| CAS Number | 311783-52-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC |
Product Overview
ChemDiv1_025612 (CAS 311783-52-5), with molecular formula C28H29NO3 and molecular weight 427.21 g/mol. IUPAC: 5-(4-ethoxy-3-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_025612
Property Insights of ChemDiv1_025612
The XLogP value of 6.5566 indicates that ChemDiv1_025612 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_025612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025612 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_025612?
The CAS number of ChemDiv1_025612 is 311783-52-5.
What is the molecular formula of ChemDiv1_025612?
The molecular formula of ChemDiv1_025612 is C28H29NO3.
What is the molecular weight of ChemDiv1_025612?
The molecular weight of ChemDiv1_025612 is 427.21 g/mol.
Where can I buy ChemDiv1_025612?
You can request a quote for ChemDiv1_025612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025612?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.