![1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione structure](/static/products/896/896804-88-9.png)
1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
TL;DR: 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 896804-88-9) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 1-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.053 |
| Topological Polar Surface Area | 56.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 1139.2944 |
Chemical Identifiers
| CAS Number | 896804-88-9 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)C4=CC=C(C=C4)OC |
Product Overview
1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 896804-88-9), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: 6-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
Property Insights of 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
The XLogP value of 3.053 indicates that 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.47 Ų, 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione 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-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The CAS number of 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 896804-88-9.
What is the molecular formula of 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular formula of 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is C22H27N3O3S.
What is the molecular weight of 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular weight of 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 413.18 g/mol.
Where can I buy 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
You can request a quote for 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(dimethylamino)ethyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.