![3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate structure](/static/products/405/405890-84-8.png)
3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate
TL;DR: 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate (CAS 405890-84-8) is a chemical compound with molecular formula C23H29N5O3S2 and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]phenyl] N,N-diethylcarbamate
Also Known As: 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate
| Molecular Formula | C23H29N5O3S2 |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 5.0313 |
| Topological Polar Surface Area | 110.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.17117 |
| Heavy Atoms | 33 |
| Complexity | 1182.789 |
Chemical Identifiers
| CAS Number | 405890-84-8 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)NC(C)(C)C)N |
Product Overview
3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate (CAS 405890-84-8), with molecular formula C23H29N5O3S2 and molecular weight 487.17 g/mol. IUPAC: [3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]phenyl] N,N-diethylcarbamate.
Chemical Property Profile of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate
Property Insights of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate
The XLogP value of 5.0313 indicates that 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate. Following Lipinski's Rule of Five, 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate?
The CAS number of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate is 405890-84-8.
What is the molecular formula of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate?
The molecular formula of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate is C23H29N5O3S2.
What is the molecular weight of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate?
The molecular weight of 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate is 487.17 g/mol.
Where can I buy 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate?
You can request a quote for 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Amino-6-(tert-butylcarbamoyl)-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl)phenyl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.