PD 116250
TL;DR: PD 116250 (CAS 90730-70-4) is a chemical compound with molecular formula C23H31O11P and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E,4E,6E,12E)-8-acetyloxy-11-hydroxy-11-methyl-13-(6-oxo-2,3-dihydropyran-2-yl)-10-phosphonooxytrideca-2,4,6,12-tetraenyl] acetate
Also Known As: PD 116250, [(2E,4E,6E,12E)-8-acetyloxy-11-hydroxy-11-methyl-13-(6-oxo-2,3-dihydropyran-2-yl)-10-phosphonooxytrideca-2,4,6,12-tetraenyl] acetate
| Molecular Formula | C23H31O11P |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 2.1967 |
| Topological Polar Surface Area | 165.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 514.1604 |
| Heavy Atoms | 35 |
| Complexity | 923.752 |
Chemical Identifiers
| CAS Number | 90730-70-4 |
|---|---|
| SMILES | CC(=O)OC/C=C/C=C/C=C/C(CC(C(C)(/C=C/C1CC=CC(=O)O1)O)OP(=O)(O)O)OC(=O)C |
Product Overview
PD 116250 (CAS 90730-70-4), with molecular formula C23H31O11P and molecular weight 514.16 g/mol. IUPAC: [(2E,4E,6E,12E)-8-acetyloxy-11-hydroxy-11-methyl-13-(6-oxo-2,3-dihydropyran-2-yl)-10-phosphonooxytrideca-2,4,6,12-tetraenyl] acetate.
Chemical Property Profile of PD 116250
Property Insights of PD 116250
The XLogP value of 2.1967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PD 116250. The TPSA of 165.89 Ų indicates high polarity, suggesting PD 116250 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PD 116250 has 3 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 PD 116250?
The CAS number of PD 116250 is 90730-70-4.
What is the molecular formula of PD 116250?
The molecular formula of PD 116250 is C23H31O11P.
What is the molecular weight of PD 116250?
The molecular weight of PD 116250 is 514.16 g/mol.
Where can I buy PD 116250?
You can request a quote for PD 116250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 116250?
Yes, KEHONG BIO provides custom synthesis services for PD 116250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.