1-甲基乳清酸
TL;DR: 1-甲基乳清酸 (CAS 705-36-2) is a chemical compound with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基乳清酸
3-methyl-2,6-dioxopyrimidine-4-carboxylic acid
Also Known As: 1-Methylorotic acid, 3-Methylorotic acid, 1-methyloroticacid, 1-(Methyl)orotic acid, 3-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 705-36-2 |
|---|---|
| SMILES | CN1C(=CC(=O)NC1=O)C(=O)O |
| InChIKey | HRHMKAOOSCBQKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基乳清酸 (CAS 705-36-2), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: 3-methyl-2,6-dioxopyrimidine-4-carboxylic acid.
Chemical Property Profile of 1-甲基乳清酸
Property Insights of 1-甲基乳清酸
The XLogP value of -1.1 indicates that 1-甲基乳清酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-甲基乳清酸. Following Lipinski's Rule of Five, 1-甲基乳清酸 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 1-甲基乳清酸?
The CAS number of 1-甲基乳清酸 is 705-36-2.
What is the molecular formula of 1-甲基乳清酸?
The molecular formula of 1-甲基乳清酸 is C6H6N2O4.
What is the molecular weight of 1-甲基乳清酸?
The molecular weight of 1-甲基乳清酸 is 170.03 g/mol.
Where can I buy 1-甲基乳清酸?
You can request a quote for 1-甲基乳清酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基乳清酸?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基乳清酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.