PN 309
TL;DR: PN 309 (CAS 18900-05-5) is a chemical compound with molecular formula C40H56N4O14 and molecular weight 816.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-[4-(azepan-1-yl)but-2-ynyl]pyrrolidin-2-one);tris((E)-but-2-enedioic acid)
Also Known As: PN 309, C14H22N2O.3/2C4H4O4, C14-H22-N2-O.3/2C4-H4-O4, 1-(4-(Hexahydro-1H-azepin-1-yl)-2-butynyl)-2-pyrrolidinone fumarate (2:3), 2-Pyrrolidinone, 1-(4-(hexahydro-1H-azepin-1-yl)-2-butynyl)-, fumarate (2:3)
| Molecular Formula | C40H56N4O14 |
|---|---|
| Molecular Weight | 816.38 g/mol |
| LogP | 2.1118 |
| Topological Polar Surface Area | 270.9 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 816.3793 |
| Heavy Atoms | 58 |
| Complexity | 1358.6831 |
Chemical Identifiers
| CAS Number | 18900-05-5 |
|---|---|
| SMILES | C1CCN(CCC1)CC#CCN2C(=O)CCC2.C1CCN(CCC1)CC#CCN2C(=O)CCC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
PN 309 (CAS 18900-05-5), with molecular formula C40H56N4O14 and molecular weight 816.38 g/mol. IUPAC: bis(1-[4-(azepan-1-yl)but-2-ynyl]pyrrolidin-2-one);tris((E)-but-2-enedioic acid).
Chemical Property Profile of PN 309
Property Insights of PN 309
The XLogP value of 2.1118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PN 309. The TPSA of 270.9 Ų indicates high polarity, suggesting PN 309 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PN 309 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PN 309?
The CAS number of PN 309 is 18900-05-5.
What is the molecular formula of PN 309?
The molecular formula of PN 309 is C40H56N4O14.
What is the molecular weight of PN 309?
The molecular weight of PN 309 is 816.38 g/mol.
Where can I buy PN 309?
You can request a quote for PN 309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PN 309?
Yes, KEHONG BIO provides custom synthesis services for PN 309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.