5-Fluorodihydrooorotate
TL;DR: 5-Fluorodihydrooorotate (CAS 53305-32-1) is a chemical compound with molecular formula C18H23NO10 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[2,2-dimethyl-7-(methylcarbamoyloxy)-3H-1-benzofuran-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 5-Fluorodihydrooorotate, 3-Hydroxycarbofuran glucuronide, beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-3-benzofuranyl, (2S,3S,4S,5R,6R)-6-[[2,2-dimethyl-7-(methylcarbamoyloxy)-3H-1-benzofuran-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, 7-[Hydroxy(methylimino)methoxy]-2,2-dimethyl-2,3-dihydro-1-benzofuran-3-yl beta-D-glucopyranosiduronic acid
| Molecular Formula | C18H23NO10 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | -0.4743 |
| Topological Polar Surface Area | 164.01 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1322 |
| Heavy Atoms | 29 |
| Complexity | 796.84656 |
Chemical Identifiers
| CAS Number | 53305-32-1 |
|---|---|
| SMILES | CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C |
Product Overview
5-Fluorodihydrooorotate (CAS 53305-32-1), with molecular formula C18H23NO10 and molecular weight 413.13 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[2,2-dimethyl-7-(methylcarbamoyloxy)-3H-1-benzofuran-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 5-Fluorodihydrooorotate
Property Insights of 5-Fluorodihydrooorotate
The XLogP value of -0.4743 indicates that 5-Fluorodihydrooorotate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.01 Ų indicates high polarity, suggesting 5-Fluorodihydrooorotate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Fluorodihydrooorotate has 5 hydrogen bond donor(s) and 9 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 5-Fluorodihydrooorotate?
The CAS number of 5-Fluorodihydrooorotate is 53305-32-1.
What is the molecular formula of 5-Fluorodihydrooorotate?
The molecular formula of 5-Fluorodihydrooorotate is C18H23NO10.
What is the molecular weight of 5-Fluorodihydrooorotate?
The molecular weight of 5-Fluorodihydrooorotate is 413.13 g/mol.
Where can I buy 5-Fluorodihydrooorotate?
You can request a quote for 5-Fluorodihydrooorotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluorodihydrooorotate?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluorodihydrooorotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.