![ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate structure](/static/products/848/848670-13-3.png)
ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate
TL;DR: ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate (CAS 848670-13-3) is a chemical compound with molecular formula C16H22N4O2S2 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoate
Also Known As: ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate, ethyl 4-[(4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
| Molecular Formula | C16H22N4O2S2 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.6968 |
| Topological Polar Surface Area | 81.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1184 |
| Heavy Atoms | 24 |
| Complexity | 747.2429 |
Chemical Identifiers
| CAS Number | 848670-13-3 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NC(=C2C3=C(CN(CC3)C)SC2=N1)N |
Product Overview
ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate (CAS 848670-13-3), with molecular formula C16H22N4O2S2 and molecular weight 366.12 g/mol. IUPAC: ethyl 4-[(3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoate.
Chemical Property Profile of ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate
Property Insights of ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate
The XLogP value of 2.6968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate. The TPSA of 81.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate. Following Lipinski's Rule of Five, ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate has 1 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-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate?
The CAS number of ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate is 848670-13-3.
What is the molecular formula of ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate?
The molecular formula of ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate is C16H22N4O2S2.
What is the molecular weight of ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate?
The molecular weight of ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate is 366.12 g/mol.
Where can I buy ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate?
You can request a quote for ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate 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-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.