![2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine structure](/static/products/896/896805-41-7.png)
2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
TL;DR: 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine (CAS 896805-41-7) is a chemical compound with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-13-piperazin-1-yl-8-propan-2-yl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine, 5-isopropyl-2,2-dimethyl-8-(piperazin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
| Molecular Formula | C21H27N5O2 |
|---|---|
| Molecular Weight | 381.22 g/mol |
| LogP | 3.1553 |
| Topological Polar Surface Area | 76.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.21646 |
| Heavy Atoms | 28 |
| Complexity | 1050.0524 |
Chemical Identifiers
| CAS Number | 896805-41-7 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1COC(C3)(C)C)C4=C(O2)C(=NC=N4)N5CCNCC5 |
Product Overview
2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine (CAS 896805-41-7), with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol. IUPAC: 4,4-dimethyl-13-piperazin-1-yl-8-propan-2-yl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Property Insights of 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
The XLogP value of 3.1553 indicates that 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine. Following Lipinski's Rule of Five, 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine has 1 hydrogen bond donor(s) and 7 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 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine?
The CAS number of 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine is 896805-41-7.
What is the molecular formula of 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine?
The molecular formula of 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine is C21H27N5O2.
What is the molecular weight of 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine?
The molecular weight of 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine is 381.22 g/mol.
Where can I buy 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine?
You can request a quote for 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.