![2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine structure](/static/products/956/956779-49-0.png)
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 956779-49-0) is a chemical compound with molecular formula C21H29N5O2S and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C21H29N5O2S |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 4.18364 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.2042 |
| Heavy Atoms | 29 |
| Complexity | 1023.9154 |
Chemical Identifiers
| CAS Number | 956779-49-0 |
|---|---|
| SMILES | CCOCCCNC1=C2C3=C(COC(C3)(C)C)SC2=NC(=N1)N4C(=CC(=N4)C)C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 956779-49-0), with molecular formula C21H29N5O2S and molecular weight 415.20 g/mol. IUPAC: 5-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
The XLogP value of 4.18364 indicates that 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine has 1 hydrogen bond donor(s) and 7 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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 956779-49-0.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is C21H29N5O2S.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 415.20 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-ethoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.