![4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde structure](/static/products/488/488716-98-9.png)
4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde
TL;DR: 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde (CAS 488716-98-9) is a chemical compound with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-benzyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)piperazine-1-carbaldehyde
Also Known As: 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde, 4-(2-benzyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde
| Molecular Formula | C23H26N4O2S |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 3.4118 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.17764 |
| Heavy Atoms | 30 |
| Complexity | 1071.7467 |
Chemical Identifiers
| CAS Number | 488716-98-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)N4CCN(CC4)C=O)CC5=CC=CC=C5)C |
Product Overview
4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde (CAS 488716-98-9), with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol. IUPAC: 4-(5-benzyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)piperazine-1-carbaldehyde.
Chemical Property Profile of 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde
Property Insights of 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde
The XLogP value of 3.4118 indicates that 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde has 0 hydrogen bond donor(s) and 6 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 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde?
The CAS number of 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde is 488716-98-9.
What is the molecular formula of 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde?
The molecular formula of 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde is C23H26N4O2S.
What is the molecular weight of 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde?
The molecular weight of 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde is 422.18 g/mol.
Where can I buy 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde?
You can request a quote for 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.