![3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione structure](/static/products/900/900294-10-2.png)
3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
TL;DR: 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 900294-10-2) is a chemical compound with molecular formula C22H27N3O2S and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-6-[2-(dimethylamino)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 3-benzyl-1-[2-(dimethylamino)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C22H27N3O2S |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 3.1035 |
| Topological Polar Surface Area | 47.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.1824 |
| Heavy Atoms | 28 |
| Complexity | 1092.8978 |
Chemical Identifiers
| CAS Number | 900294-10-2 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CC4=CC=CC=C4 |
Product Overview
3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 900294-10-2), with molecular formula C22H27N3O2S and molecular weight 397.18 g/mol. IUPAC: 4-benzyl-6-[2-(dimethylamino)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
Property Insights of 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
The XLogP value of 3.1035 indicates that 3-benzyl-1-(2-(dimethylamino)ethyl)-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 47.24 Ų, 3-benzyl-1-(2-(dimethylamino)ethyl)-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, 3-benzyl-1-(2-(dimethylamino)ethyl)-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 4 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 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The CAS number of 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 900294-10-2.
What is the molecular formula of 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular formula of 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is C22H27N3O2S.
What is the molecular weight of 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular weight of 3-benzyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 397.18 g/mol.
Where can I buy 3-benzyl-1-(2-(dimethylamino)ethyl)-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 3-benzyl-1-(2-(dimethylamino)ethyl)-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 3-benzyl-1-(2-(dimethylamino)ethyl)-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 3-benzyl-1-(2-(dimethylamino)ethyl)-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.