8F-902
TL;DR: 8F-902 (CAS 339028-63-6) is a chemical compound with molecular formula C27H26Cl2N2O5 and molecular weight 528.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[[4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate
Also Known As: 8F-902, diethyl 2-({[4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl]amino}methylene)malonate, diethyl 2-[[[4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate, 1,3-diethyl 2-[({4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrrol-3-yl}amino)methylidene]propanedioate, 1,3-diethyl 2-[({4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methylpyrrol-3-yl}amino)methylidene]propanedioate
| Molecular Formula | C27H26Cl2N2O5 |
|---|---|
| Molecular Weight | 528.12 g/mol |
| LogP | 5.80462 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 528.1219 |
| Heavy Atoms | 36 |
| Complexity | 1278.9929 |
Chemical Identifiers
| CAS Number | 339028-63-6 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CN(C(=C1C(=O)C2=CC=CC=C2)C)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OCC |
Product Overview
8F-902 (CAS 339028-63-6), with molecular formula C27H26Cl2N2O5 and molecular weight 528.12 g/mol. IUPAC: diethyl 2-[[[4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate.
Chemical Property Profile of 8F-902
Property Insights of 8F-902
The XLogP value of 5.80462 indicates that 8F-902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 8F-902. Following Lipinski's Rule of Five, 8F-902 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 8F-902?
The CAS number of 8F-902 is 339028-63-6.
What is the molecular formula of 8F-902?
The molecular formula of 8F-902 is C27H26Cl2N2O5.
What is the molecular weight of 8F-902?
The molecular weight of 8F-902 is 528.12 g/mol.
Where can I buy 8F-902?
You can request a quote for 8F-902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8F-902?
Yes, KEHONG BIO provides custom synthesis services for 8F-902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.