ChemDiv1_025716
TL;DR: ChemDiv1_025716 (CAS 5795-82-4) is a chemical compound with molecular formula C29H29NO5 and molecular weight 471.20 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)-2,6-dimethoxyphenyl] acetate
Also Known As: ChemDiv1_025716, 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2,6-dimethoxyphenyl acetate, A1972/0082930, [4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2,6-dimethoxyphenyl] acetate, 4-{2,2-DIMETHYL-4-OXO-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-5-YL}-2,6-DIMETHOXYPHENYL ACETATE
| Molecular Formula | C29H29NO5 |
|---|---|
| Molecular Weight | 471.20 g/mol |
| LogP | 6.0918 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.20456 |
| Heavy Atoms | 35 |
| Complexity | 1376.4426 |
Chemical Identifiers
| CAS Number | 5795-82-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC |
Product Overview
ChemDiv1_025716 (CAS 5795-82-4), with molecular formula C29H29NO5 and molecular weight 471.20 g/mol. IUPAC: [4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of ChemDiv1_025716
Property Insights of ChemDiv1_025716
The XLogP value of 6.0918 indicates that ChemDiv1_025716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025716. Following Lipinski's Rule of Five, ChemDiv1_025716 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025716?
The CAS number of ChemDiv1_025716 is 5795-82-4.
What is the molecular formula of ChemDiv1_025716?
The molecular formula of ChemDiv1_025716 is C29H29NO5.
What is the molecular weight of ChemDiv1_025716?
The molecular weight of ChemDiv1_025716 is 471.20 g/mol.
Where can I buy ChemDiv1_025716?
You can request a quote for ChemDiv1_025716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025716?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.