![ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate structure](/static/products/4960/496029-07-3.webp)
ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate
TL;DR: ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate (CAS 496029-07-3) is a chemical compound with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate
Also Known As: ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate, ethyl 4-(4-((4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)thio)butanamido)benzoate, ethyl 4-[4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate, ethyl 4-({4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoyl}amino)benzoate
| Molecular Formula | C21H24N4O3S2 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.57804 |
| Topological Polar Surface Area | 107.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.129 |
| Heavy Atoms | 30 |
| Complexity | 1064.2938 |
Chemical Identifiers
| CAS Number | 496029-07-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC(=C3C(=C(SC3=N2)C)C)N |
Product Overview
ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate (CAS 496029-07-3), with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol. IUPAC: ethyl 4-[4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate.
Chemical Property Profile of ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate
Property Insights of ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate
The XLogP value of 4.57804 indicates that ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate. Following Lipinski's Rule of Five, ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate has 2 hydrogen bond donor(s) and 8 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-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate?
The CAS number of ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate is 496029-07-3.
What is the molecular formula of ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate?
The molecular formula of ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate is C21H24N4O3S2.
What is the molecular weight of ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate?
The molecular weight of ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate is 444.13 g/mol.
Where can I buy ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate?
You can request a quote for ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)butanoylami no]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.