3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid
TL;DR: 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid (CAS 1079-42-1) is a chemical compound with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
Also Known As: NCIStruc1_000655, NCIStruc2_000520, 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid, EINECS 214-092-7, NCI60_042189
| Molecular Formula | C8H11N3O2S |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.04701 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.0572 |
| Heavy Atoms | 14 |
| Complexity | 413.5377 |
Chemical Identifiers
| CAS Number | 1079-42-1 |
|---|---|
| SMILES | CC1=C(C(=S)N=C(N1)N)CCC(=O)O |
Product Overview
3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid (CAS 1079-42-1), with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol. IUPAC: 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid.
Chemical Property Profile of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid
Property Insights of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid
The XLogP value of 1.04701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid. Following Lipinski's Rule of Five, 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic 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 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
The CAS number of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid is 1079-42-1.
What is the molecular formula of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
The molecular formula of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid is C8H11N3O2S.
What is the molecular weight of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
The molecular weight of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid is 213.06 g/mol.
Where can I buy 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
You can request a quote for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.