![Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate structure](/static/products/418/418773-42-9.png)
Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate (CAS 418773-42-9) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate
Also Known As: BIM-0023073.P001, ethyl 4-amino-2-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate, ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate
| Molecular Formula | C16H19N3O2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.9604 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1198 |
| Heavy Atoms | 22 |
| Complexity | 620.0429 |
Chemical Identifiers
| CAS Number | 418773-42-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCCCC2=CC=CC=C2 |
Product Overview
Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate (CAS 418773-42-9), with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol. IUPAC: ethyl 4-amino-2-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate
The XLogP value of 2.9604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate 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 Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate is 418773-42-9.
What is the molecular formula of Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate is C16H19N3O2S.
What is the molecular weight of Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate is 317.12 g/mol.
Where can I buy Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-imino-2-[(3-phenylpropyl)thio]-1,4-dihydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.