![3-cyclohexyl-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/896/896850-26-3.png)
3-cyclohexyl-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-cyclohexyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 896850-26-3) is a chemical compound with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-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-cyclohexyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 3-Cyclohexyl-1-(2-dimethylamino-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2,4-dione, 3-cyclohexyl-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 | C21H31N3O2S |
|---|---|
| Molecular Weight | 389.21 g/mol |
| LogP | 3.5604 |
| Topological Polar Surface Area | 47.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.21368 |
| Heavy Atoms | 27 |
| Complexity | 931.5205 |
Chemical Identifiers
| CAS Number | 896850-26-3 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)C4CCCCC4 |
Product Overview
3-cyclohexyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 896850-26-3), with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol. IUPAC: 4-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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 3.5604 indicates that 3-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 896850-26-3.
What is the molecular formula of 3-cyclohexyl-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-cyclohexyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is C21H31N3O2S.
What is the molecular weight of 3-cyclohexyl-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-cyclohexyl-1-(2-(dimethylamino)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 389.21 g/mol.
Where can I buy 3-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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.