Orotic acid, 1,3-dimethyl-, methyl ester
TL;DR: Orotic acid, 1,3-dimethyl-, methyl ester (CAS 4116-39-6) is a chemical compound with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate
Also Known As: methyl 1,3-dimethylorotate, Orotic acid, 1,3-dimethyl-, methyl ester, 1,3-Dimethylorotic acid methyl ester, methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate, Methyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
| Molecular Formula | C8H10N2O4 |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.06406 |
| Heavy Atoms | 14 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 4116-39-6 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)C(=O)OC |
| InChIKey | AOYTXGXDYJBNTJ-UHFFFAOYSA-N |
Product Overview
Orotic acid, 1,3-dimethyl-, methyl ester (CAS 4116-39-6), with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol. IUPAC: methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate.
Chemical Property Profile of Orotic acid, 1,3-dimethyl-, methyl ester
Property Insights of Orotic acid, 1,3-dimethyl-, methyl ester
The XLogP value of -0.5 indicates that Orotic acid, 1,3-dimethyl-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Orotic acid, 1,3-dimethyl-, methyl ester. Following Lipinski's Rule of Five, Orotic acid, 1,3-dimethyl-, methyl ester has 0 hydrogen bond donor(s) and 4 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 Orotic acid, 1,3-dimethyl-, methyl ester?
The CAS number of Orotic acid, 1,3-dimethyl-, methyl ester is 4116-39-6.
What is the molecular formula of Orotic acid, 1,3-dimethyl-, methyl ester?
The molecular formula of Orotic acid, 1,3-dimethyl-, methyl ester is C8H10N2O4.
What is the molecular weight of Orotic acid, 1,3-dimethyl-, methyl ester?
The molecular weight of Orotic acid, 1,3-dimethyl-, methyl ester is 198.06 g/mol.
Where can I buy Orotic acid, 1,3-dimethyl-, methyl ester?
You can request a quote for Orotic acid, 1,3-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orotic acid, 1,3-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Orotic acid, 1,3-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.