1-(Phenoxycarbonyloxymethyl)-5-fluorouracil
TL;DR: 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil (CAS 106219-33-4) is a chemical compound with molecular formula C12H9FN2O5 and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylphenyl] hydrogen carbonate
Also Known As: PCMF, 2-phthalimido-4-trichloromethylpyridine, 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil, [3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylphenyl] hydrogen carbonate, (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl phenyl carbonate
| Molecular Formula | C12H9FN2O5 |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.04956 |
| Heavy Atoms | 20 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 106219-33-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1OC(=O)O)N2C=C(C(=O)NC2=O)F |
| InChIKey | AHTYDUCWNMCQQP-UHFFFAOYSA-N |
Product Overview
1-(Phenoxycarbonyloxymethyl)-5-fluorouracil (CAS 106219-33-4), with molecular formula C12H9FN2O5 and molecular weight 280.05 g/mol. IUPAC: [3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylphenyl] hydrogen carbonate.
Chemical Property Profile of 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil
Property Insights of 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil. Following Lipinski's Rule of Five, 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil has 2 hydrogen bond donor(s) and 6 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-(Phenoxycarbonyloxymethyl)-5-fluorouracil?
The CAS number of 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil is 106219-33-4.
What is the molecular formula of 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil?
The molecular formula of 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil is C12H9FN2O5.
What is the molecular weight of 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil?
The molecular weight of 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil is 280.05 g/mol.
Where can I buy 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil?
You can request a quote for 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenoxycarbonyloxymethyl)-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.