J1.618.310E
TL;DR: J1.618.310E (CAS 6646-01-1) is a chemical compound with molecular formula C26H17ClN2O5 and molecular weight 472.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 11-(4-chlorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate
Also Known As: J1.618.310E, dimethyl 11-(4-chlorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate, 9,10-dimethyl 11-(4-chlorobenzoyl)pyrrolo[1,2-a]1,10-phenanthroline-9,10-dicarboxylate, 1-(4-Chlorobenzoyl)-11,11c-diaza-11cH-cyclopenta[c]phenanthrene-2,3-dicarboxylic acid dimethyl ester, 3-(4-Chlorobenzoyl)-5,6-(2,3-pyridinediylvinylene)indolizine-1,2-dicarboxylic acid dimethyl ester
| Molecular Formula | C26H17ClN2O5 |
|---|---|
| Molecular Weight | 472.08 g/mol |
| LogP | 5.0983 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.0826 |
| Heavy Atoms | 34 |
| Complexity | 1637.0399 |
Chemical Identifiers
| CAS Number | 6646-01-1 |
|---|---|
| SMILES | COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)Cl)C5=C(C=CC=N5)C=C3 |
Product Overview
J1.618.310E (CAS 6646-01-1), with molecular formula C26H17ClN2O5 and molecular weight 472.08 g/mol. IUPAC: dimethyl 11-(4-chlorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate.
Chemical Property Profile of J1.618.310E
Property Insights of J1.618.310E
The XLogP value of 5.0983 indicates that J1.618.310E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.618.310E. Following Lipinski's Rule of Five, J1.618.310E has 0 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 J1.618.310E?
The CAS number of J1.618.310E is 6646-01-1.
What is the molecular formula of J1.618.310E?
The molecular formula of J1.618.310E is C26H17ClN2O5.
What is the molecular weight of J1.618.310E?
The molecular weight of J1.618.310E is 472.08 g/mol.
Where can I buy J1.618.310E?
You can request a quote for J1.618.310E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.618.310E?
Yes, KEHONG BIO provides custom synthesis services for J1.618.310E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.