(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid
TL;DR: (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid (CAS 38148-63-9) is a chemical compound with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
Also Known As: 4-Hydroxybenzamidine hydrochloride, (2-mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid, BAS 02747735, (6-Hydroxy-4-methyl-2-thioxo-1,2-dihydro-pyrimidin-5-yl)-acetic acid, BB 0238543
| Molecular Formula | C7H8N2O3S |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.02556 |
| Heavy Atoms | 13 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 38148-63-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CC(=O)O |
| InChIKey | HSXWQMNKBWSOSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid (CAS 38148-63-9), with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol. IUPAC: 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid.
Chemical Property Profile of (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid
Property Insights of (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid
The XLogP value of -0.5 indicates that (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid. Following Lipinski's Rule of Five, (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid 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 (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid?
The CAS number of (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid is 38148-63-9.
What is the molecular formula of (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid?
The molecular formula of (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid is C7H8N2O3S.
What is the molecular weight of (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid?
The molecular weight of (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid is 200.03 g/mol.
Where can I buy (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid?
You can request a quote for (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.