(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid
TL;DR: (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid (CAS 372-29-2) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]acetic acid
Also Known As: BAS 01521923, (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid, Ethyl 3-amino-4,4,4-trifluorocrotonate, 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]acetic acid, BRD-K53629917-001-01-7
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 372-29-2 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)CSCC(=O)O |
| InChIKey | NYWVWMHGRHLLEQ-UHFFFAOYSA-N |
Product Overview
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid (CAS 372-29-2), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid
Property Insights of (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid
The XLogP value of -0.5 indicates that (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid. Following Lipinski's Rule of Five, (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid has 3 hydrogen bond donor(s) and 5 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 (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid?
The CAS number of (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid is 372-29-2.
What is the molecular formula of (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid?
The molecular formula of (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid is C8H10N2O4S.
What is the molecular weight of (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid?
The molecular weight of (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid is 230.04 g/mol.
Where can I buy (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid?
You can request a quote for (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.