2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester
TL;DR: 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester (CAS 38507-83-4) is a chemical compound with molecular formula C12H14N2O7 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,4S,5S,6R)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylate
Also Known As: Ethyl ara-orotate, 2,2'-Anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester, Ethyl 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotate, 2,2'-Anhydro-1-(beta-arabinofuranosyl)orotic acid ethyl ester, 6H-Furo(2',3'-4,5)oxazolo(3,2-a)pyrimidine-8-carboxylic acid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester, (2S-(2alpha,3beta,3abeta,9abeta))-
| Molecular Formula | C12H14N2O7 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0801 |
| Heavy Atoms | 21 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 38507-83-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)N=C2N1[C@@H]3[C@H](O2)[C@H]([C@@H](O3)CO)O |
| InChIKey | QUASVQIYZLPFFO-MCNGFCJOSA-N |
Product Overview
2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester (CAS 38507-83-4), with molecular formula C12H14N2O7 and molecular weight 298.08 g/mol. IUPAC: ethyl (2S,4S,5S,6R)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylate.
Chemical Property Profile of 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester
Property Insights of 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester
The XLogP value of -0.8 indicates that 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester. Following Lipinski's Rule of Five, 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester has 2 hydrogen bond donor(s) and 7 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 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester?
The CAS number of 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester is 38507-83-4.
What is the molecular formula of 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester?
The molecular formula of 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester is C12H14N2O7.
What is the molecular weight of 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester?
The molecular weight of 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester is 298.08 g/mol.
Where can I buy 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester?
You can request a quote for 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.