![3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine structure](/static/products/578/578753-40-9.png)
3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine
TL;DR: 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine (CAS 578753-40-9) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3,4-dimethoxyphenyl)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-imine
Also Known As: 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine, 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 4.10607 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 1022.174 |
Chemical Identifiers
| CAS Number | 578753-40-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=N)C4=C(S3)CCCCC4)OC |
Product Overview
3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine (CAS 578753-40-9), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: 4-[2-(3,4-dimethoxyphenyl)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-imine.
Chemical Property Profile of 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine
Property Insights of 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine
The XLogP value of 4.10607 indicates that 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine has 1 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 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine?
The CAS number of 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine is 578753-40-9.
What is the molecular formula of 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine?
The molecular formula of 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine is C21H25N3O2S.
What is the molecular weight of 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine?
The molecular weight of 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine is 383.17 g/mol.
Where can I buy 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine?
You can request a quote for 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.