Pyrene-PI
TL;DR: Pyrene-PI (CAS 139143-25-2) is a chemical compound with molecular formula C26H29O9P and molecular weight 516.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate
Also Known As: Pyrene-PI, 4-(1-Pyreno)butylphosphorylinositol, rac-4-(1-Pyreno)butylphosphoryl-1-myo-inositol, DL-myo-Inositol, 1-(4-(1-pyrenyl)butyl hydrogen phosphate), 2,3,4,5,6-Pentahydroxycyclohexyl 4-(pyren-1-yl)butyl hydrogen phosphate
| Molecular Formula | C26H29O9P |
|---|---|
| Molecular Weight | 516.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.1549 |
| Heavy Atoms | 36 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 139143-25-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCOP(=O)(O)OC5[C@H]([C@H](C([C@H]([C@@H]5O)O)O)O)O |
| InChIKey | VBIVPQHGEARBEM-CDFZIERKSA-N |
Product Overview
Pyrene-PI (CAS 139143-25-2), with molecular formula C26H29O9P and molecular weight 516.15 g/mol. IUPAC: [(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate.
Chemical Property Profile of Pyrene-PI
Property Insights of Pyrene-PI
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrene-PI. The TPSA of 157.0 Ų indicates high polarity, suggesting Pyrene-PI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrene-PI has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrene-PI?
The CAS number of Pyrene-PI is 139143-25-2.
What is the molecular formula of Pyrene-PI?
The molecular formula of Pyrene-PI is C26H29O9P.
What is the molecular weight of Pyrene-PI?
The molecular weight of Pyrene-PI is 516.15 g/mol.
Where can I buy Pyrene-PI?
You can request a quote for Pyrene-PI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene-PI?
Yes, KEHONG BIO provides custom synthesis services for Pyrene-PI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.