乳清酸丁酯
TL;DR: 乳清酸丁酯 (CAS 22754-37-6) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乳清酸丁酯
butyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: Orotic acid butyl ester, n-Butyl orotate, butyl orotate, For-Asp(OBzl)-OH, Orotic acid, butyl ester
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 22754-37-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=O)NC(=O)N1 |
| InChIKey | AKSYFXKHZGSZNB-UHFFFAOYSA-N |
Product Overview
乳清酸丁酯 (CAS 22754-37-6), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: butyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of 乳清酸丁酯
Property Insights of 乳清酸丁酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乳清酸丁酯. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 乳清酸丁酯. Following Lipinski's Rule of Five, 乳清酸丁酯 has 2 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 乳清酸丁酯?
The CAS number of 乳清酸丁酯 is 22754-37-6.
What is the molecular formula of 乳清酸丁酯?
The molecular formula of 乳清酸丁酯 is C9H12N2O4.
What is the molecular weight of 乳清酸丁酯?
The molecular weight of 乳清酸丁酯 is 212.08 g/mol.
Where can I buy 乳清酸丁酯?
You can request a quote for 乳清酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乳清酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 乳清酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.