5-甲基乳清酸
TL;DR: 5-甲基乳清酸 (CAS 3993-73-5) 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.
5-甲基乳清酸
5-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: 5-Methylorotic acid, Methylorotic acid, 6-Thyminecarboxylic acid, Orotic acid, 5-methyl-, 5-methyl orotic acid
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 3993-73-5 |
|---|---|
| SMILES | CC1=C(NC(=O)NC1=O)C(=O)O |
| InChIKey | UQBMFARVSOQVQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基乳清酸 (CAS 3993-73-5), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: 5-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 5-甲基乳清酸
Property Insights of 5-甲基乳清酸
The XLogP value of -0.9 indicates that 5-甲基乳清酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲基乳清酸. Following Lipinski's Rule of Five, 5-甲基乳清酸 has 3 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 5-甲基乳清酸?
The CAS number of 5-甲基乳清酸 is 3993-73-5.
What is the molecular formula of 5-甲基乳清酸?
The molecular formula of 5-甲基乳清酸 is C6H6N2O4.
What is the molecular weight of 5-甲基乳清酸?
The molecular weight of 5-甲基乳清酸 is 170.03 g/mol.
Where can I buy 5-甲基乳清酸?
You can request a quote for 5-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 5-甲基乳清酸?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基乳清酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.