Peimisine
TL;DR: Peimisine (CAS 19341-49-2) is a chemical compound with molecular formula C17H32N2O6P2 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-bis(azepan-1-yl)-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
Also Known As: Peimisine, KST-1B1415, Phosphonic acid, (hexahydro-1H-azepin-1-yl)-, cyclic O,O,O',O'-neopentanetetrayl ester, (Hexahydro-1H-azepin-1-yl)phosphonic acid cyclic O,O,O',O'-neopentanetetrayl ester, 3,9-bis(azepan-1-yl)-2,4,8,10-tetraoxa-3
| Molecular Formula | C17H32N2O6P2 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.17355 |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 19341-49-2 |
|---|---|
| SMILES | C1CCCN(CC1)P2(=O)OCC3(CO2)COP(=O)(OC3)N4CCCCCC4 |
| InChIKey | GLJCNOTZDACPNG-UHFFFAOYSA-N |
Product Overview
Peimisine (CAS 19341-49-2), with molecular formula C17H32N2O6P2 and molecular weight 422.17 g/mol. IUPAC: 3,9-bis(azepan-1-yl)-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide.
Chemical Property Profile of Peimisine
Property Insights of Peimisine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Peimisine. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Peimisine. Following Lipinski's Rule of Five, Peimisine has 0 hydrogen bond donor(s) and 8 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 Peimisine?
The CAS number of Peimisine is 19341-49-2.
What is the molecular formula of Peimisine?
The molecular formula of Peimisine is C17H32N2O6P2.
What is the molecular weight of Peimisine?
The molecular weight of Peimisine is 422.17 g/mol.
Where can I buy Peimisine?
You can request a quote for Peimisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peimisine?
Yes, KEHONG BIO provides custom synthesis services for Peimisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.