AF-399/33194002
TL;DR: AF-399/33194002 (CAS 210639-98-8) is a chemical compound with molecular formula C27H22N2O5 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] 4-methoxybenzoate
Also Known As: AF-399/33194002, F0020-0021, 6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl 4-methoxybenzoate, [6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] 4-methoxybenzoate, 6-ethyl-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-methoxybenzoate
| Molecular Formula | C27H22N2O5 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 5.1369 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.15286 |
| Heavy Atoms | 34 |
| Complexity | 1596.0363 |
Chemical Identifiers
| CAS Number | 210639-98-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C3=CC=C(C=C3)OC)OC=C(C2=O)C4=NC5=CC=CC=C5N4C |
Product Overview
AF-399/33194002 (CAS 210639-98-8), with molecular formula C27H22N2O5 and molecular weight 454.15 g/mol. IUPAC: [6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] 4-methoxybenzoate.
Chemical Property Profile of AF-399/33194002
Property Insights of AF-399/33194002
The XLogP value of 5.1369 indicates that AF-399/33194002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/33194002. Following Lipinski's Rule of Five, AF-399/33194002 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 AF-399/33194002?
The CAS number of AF-399/33194002 is 210639-98-8.
What is the molecular formula of AF-399/33194002?
The molecular formula of AF-399/33194002 is C27H22N2O5.
What is the molecular weight of AF-399/33194002?
The molecular weight of AF-399/33194002 is 454.15 g/mol.
Where can I buy AF-399/33194002?
You can request a quote for AF-399/33194002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/33194002?
Yes, KEHONG BIO provides custom synthesis services for AF-399/33194002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.