![1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) structure](/static/products/845/845803-90-9.png)
1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)
TL;DR: 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) (CAS 845803-90-9) is a chemical compound with molecular formula C24H33N5O3S and molecular weight 471.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4,4-dimethyl-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-hydroxypropyl)amino]propan-2-ol
Also Known As: 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol), 1,1'-{[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]imino}dipropan-2-ol
| Molecular Formula | C24H33N5O3S |
|---|---|
| Molecular Weight | 471.23 g/mol |
| LogP | 3.259 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.2304 |
| Heavy Atoms | 33 |
| Complexity | 1160.0665 |
Chemical Identifiers
| CAS Number | 845803-90-9 |
|---|---|
| SMILES | CC(CN(CC(C)O)C1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCCC5)O |
Product Overview
1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) (CAS 845803-90-9), with molecular formula C24H33N5O3S and molecular weight 471.23 g/mol. IUPAC: 1-[(4,4-dimethyl-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-hydroxypropyl)amino]propan-2-ol.
Chemical Property Profile of 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)
Property Insights of 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)
The XLogP value of 3.259 indicates that 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol). Following Lipinski's Rule of Five, 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) has 2 hydrogen bond donor(s) and 9 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 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)?
The CAS number of 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) is 845803-90-9.
What is the molecular formula of 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)?
The molecular formula of 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) is C24H33N5O3S.
What is the molecular weight of 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)?
The molecular weight of 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) is 471.23 g/mol.
Where can I buy 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)?
You can request a quote for 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(propan-2-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.