![ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate structure](/static/products/849/849826-18-2.png)
ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate
TL;DR: ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate (CAS 849826-18-2) is a chemical compound with molecular formula C23H30N2O3S and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate
Also Known As: ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate, ethyl 6-(7,7-dimethyl-2-phenyl-4-thioxo-4,5,7,8-tetrahydro-1H-pyrano[4,3-d]pyrimidin-1-yl)hexanoate, ethyl 6-(7,7-dimethyl-2-phenyl-4-thioxo-7,8-dihydro-4H-pyrano[4,3-d]pyrimidin-1(5H)-yl)hexanoate
| Molecular Formula | C23H30N2O3S |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 5.25439 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.19772 |
| Heavy Atoms | 29 |
| Complexity | 906.3292 |
Chemical Identifiers
| CAS Number | 849826-18-2 |
|---|---|
| SMILES | CCOC(=O)CCCCCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3 |
Product Overview
ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate (CAS 849826-18-2), with molecular formula C23H30N2O3S and molecular weight 414.20 g/mol. IUPAC: ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate.
Chemical Property Profile of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate
Property Insights of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate
The XLogP value of 5.25439 indicates that ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate?
The CAS number of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate is 849826-18-2.
What is the molecular formula of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate?
The molecular formula of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate is C23H30N2O3S.
What is the molecular weight of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate?
The molecular weight of ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate is 414.20 g/mol.
Where can I buy ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate?
You can request a quote for ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.