A2347/0099125
TL;DR: A2347/0099125 (CAS 346636-96-2) is a chemical compound with molecular formula C20H17FN2O5 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: A2347/0099125, (E)-5-(2,5-dimethoxybenzylidene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(2,5-dimethoxyphenyl)methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione, (5E)-5-(2,5-dimethoxybenzylidene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C20H17FN2O5 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 2.5049 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.11215 |
| Heavy Atoms | 28 |
| Complexity | 969.0614 |
Chemical Identifiers
| CAS Number | 346636-96-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F |
Product Overview
A2347/0099125 (CAS 346636-96-2), with molecular formula C20H17FN2O5 and molecular weight 384.11 g/mol. IUPAC: (5E)-5-[(2,5-dimethoxyphenyl)methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of A2347/0099125
Property Insights of A2347/0099125
The XLogP value of 2.5049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2347/0099125. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A2347/0099125. Following Lipinski's Rule of Five, A2347/0099125 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2347/0099125?
The CAS number of A2347/0099125 is 346636-96-2.
What is the molecular formula of A2347/0099125?
The molecular formula of A2347/0099125 is C20H17FN2O5.
What is the molecular weight of A2347/0099125?
The molecular weight of A2347/0099125 is 384.11 g/mol.
Where can I buy A2347/0099125?
You can request a quote for A2347/0099125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2347/0099125?
Yes, KEHONG BIO provides custom synthesis services for A2347/0099125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.