![5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester structure](/static/products/7202/7202-71-3.webp)
5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester (CAS 7202-71-3) is a chemical compound with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-benzylsulfanylpyrimidine-5-carboxylate
Also Known As: NCIOpen2_003791, BAS 02254460, ethyl 4-amino-2-benzylsulfanylpyrimidine-5-carboxylate, ethyl 4-amino-2-(benzylsulfanyl)pyrimidine-5-carboxylate, ethyl 4-amino-2-(benzylthio)-5-pyrimidinecarboxylate
| Molecular Formula | C14H15N3O2S |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.0885 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 7202-71-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC=C2 |
| InChIKey | PMPWPSTVTPCAGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester (CAS 7202-71-3), with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol. IUPAC: ethyl 4-amino-2-benzylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester
The XLogP value of 3.0 indicates that 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester has 1 hydrogen bond donor(s) and 6 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-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester is 7202-71-3.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester is C14H15N3O2S.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester is 289.09 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 4-amino-2-[(phenylmethyl)thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.