![1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione structure](/static/products/587/587006-75-5.png)
1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
TL;DR: 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione (CAS 587006-75-5) is a chemical compound with molecular formula C22H31N3O2S and molecular weight 401.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
Also Known As: 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione, 1-(2-(diethylamino)ethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione, 1-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione, 1-[2-(DIETHYLAMINO)ETHYL]-2-(4-METHOXYPHENYL)-7,7-DIMETHYL-1H,4H,5H,7H,8H-PYRANO[4,3-D]PYRIMIDINE-4-THIONE
| Molecular Formula | C22H31N3O2S |
|---|---|
| Molecular Weight | 401.21 g/mol |
| LogP | 4.48129 |
| Topological Polar Surface Area | 39.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.21368 |
| Heavy Atoms | 28 |
| Complexity | 870.586 |
Chemical Identifiers
| CAS Number | 587006-75-5 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=C(C=C3)OC |
Product Overview
1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione (CAS 587006-75-5), with molecular formula C22H31N3O2S and molecular weight 401.21 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione.
Chemical Property Profile of 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Property Insights of 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
The XLogP value of 4.48129 indicates that 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.52 Ų, 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione has 0 hydrogen bond donor(s) and 5 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 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione?
The CAS number of 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione is 587006-75-5.
What is the molecular formula of 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione?
The molecular formula of 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione is C22H31N3O2S.
What is the molecular weight of 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione?
The molecular weight of 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione is 401.21 g/mol.
Where can I buy 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione?
You can request a quote for 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.