![1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) structure](/static/products/844/844648-55-1.png)
1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)
TL;DR: 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) (CAS 844648-55-1) is a chemical compound with molecular formula C22H30N4O2S and molecular weight 414.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)-(2-hydroxypropyl)amino]propan-2-ol
Also Known As: 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol), 1,1'-[(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)imino]dipropan-2-ol
| Molecular Formula | C22H30N4O2S |
|---|---|
| Molecular Weight | 414.21 g/mol |
| LogP | 3.6388 |
| Topological Polar Surface Area | 82.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.20895 |
| Heavy Atoms | 29 |
| Complexity | 1005.1238 |
Chemical Identifiers
| CAS Number | 844648-55-1 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)N(CC(C)O)CC(C)O |
Product Overview
1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) (CAS 844648-55-1), with molecular formula C22H30N4O2S and molecular weight 414.21 g/mol. IUPAC: 1-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)-(2-hydroxypropyl)amino]propan-2-ol.
Chemical Property Profile of 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)
Property Insights of 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)
The XLogP value of 3.6388 indicates that 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol). Following Lipinski's Rule of Five, 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) has 2 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 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)?
The CAS number of 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) is 844648-55-1.
What is the molecular formula of 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)?
The molecular formula of 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) is C22H30N4O2S.
What is the molecular weight of 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)?
The molecular weight of 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) is 414.21 g/mol.
Where can I buy 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)?
You can request a quote for 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-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'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)azanediyl)bis(propan-2-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.