1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
TL;DR: 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione (CAS 404369-31-9) is a chemical compound with molecular formula C18H11Cl4FN2O2 and molecular weight 445.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione
Also Known As: BAS 01118270, 1,3-di(3,4-dichlorobenzyl)-5-fluorouracil, 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione, 1,3-bis(3,4-dichlorobenzyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione, 1,3-Bis-(3,4-dichloro-benzyl)-5-fluoro-1H-pyrimidine-2,4-dione
| Molecular Formula | C18H11Cl4FN2O2 |
|---|---|
| Molecular Weight | 445.96 g/mol |
| LogP | 4.8593 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.95587 |
| Heavy Atoms | 27 |
| Complexity | 1141.1812 |
Chemical Identifiers
| CAS Number | 404369-31-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN2C=C(C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl)F)Cl)Cl |
Product Overview
1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione (CAS 404369-31-9), with molecular formula C18H11Cl4FN2O2 and molecular weight 445.96 g/mol. IUPAC: 1,3-bis[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione.
Chemical Property Profile of 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Property Insights of 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
The XLogP value of 4.8593 indicates that 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 2 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 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione?
The CAS number of 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione is 404369-31-9.
What is the molecular formula of 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione is C18H11Cl4FN2O2.
What is the molecular weight of 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione is 445.96 g/mol.
Where can I buy 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis(3,4-dichlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.