ChemDiv1_002812
TL;DR: ChemDiv1_002812 (CAS 326093-39-4) is a chemical compound with molecular formula C25H26N2O3 and molecular weight 402.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(diethylamino)phenyl]-5-methoxy-2-methylbenzo[g]indole-3-carboxylic acid
Also Known As: ChemDiv1_002812, AE-848/37236058, 1-[4-(diethylamino)phenyl]-5-methoxy-2-methyl-1H-benzo[g]indole-3-carboxylic acid, 1-(4-(diethylamino)phenyl)-5-methoxy-2-methyl-1H-benzo[g]indole-3-carboxylic acid, 1-[4-(diethylamino)phenyl]-5-methoxy-2-methylbenzo[g]indole-3-carboxylic acid
| Molecular Formula | C25H26N2O3 |
|---|---|
| Molecular Weight | 402.19 g/mol |
| LogP | 5.64512 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.19434 |
| Heavy Atoms | 30 |
| Complexity | 1235.2072 |
Chemical Identifiers
| CAS Number | 326093-39-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N2C(=C(C3=C2C4=CC=CC=C4C(=C3)OC)C(=O)O)C |
Product Overview
ChemDiv1_002812 (CAS 326093-39-4), with molecular formula C25H26N2O3 and molecular weight 402.19 g/mol. IUPAC: 1-[4-(diethylamino)phenyl]-5-methoxy-2-methylbenzo[g]indole-3-carboxylic acid.
Chemical Property Profile of ChemDiv1_002812
Property Insights of ChemDiv1_002812
The XLogP value of 5.64512 indicates that ChemDiv1_002812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, ChemDiv1_002812 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002812 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002812?
The CAS number of ChemDiv1_002812 is 326093-39-4.
What is the molecular formula of ChemDiv1_002812?
The molecular formula of ChemDiv1_002812 is C25H26N2O3.
What is the molecular weight of ChemDiv1_002812?
The molecular weight of ChemDiv1_002812 is 402.19 g/mol.
Where can I buy ChemDiv1_002812?
You can request a quote for ChemDiv1_002812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002812?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.