PI 083
TL;DR: PI 083 (CAS 119341-57-0) is a chemical compound with molecular formula C43H50O16 and molecular weight 822.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
PI 083
4a,8,12b-trihydroxy-9-(6-hydroxy-5,14-dimethyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Also Known As: PI 083, 4a,8,12b-Trihydroxy-9-(6-hydroxy-5,14-dimethyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
| Molecular Formula | C43H50O16 |
|---|---|
| Molecular Weight | 822.31 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 822.3099 |
| Heavy Atoms | 59 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 119341-57-0 |
|---|---|
| SMILES | CC1C(CCC(O1)OC2(CC(=O)C3(C4=C(C=CC3(C2)O)C(=O)C5=C(C4=O)C=CC(=C5O)C6CC7C(C(O6)C)OC8C(O7)CC(C(O8)C)O)O)C)OC9C=CC(=O)C(O9)C |
| InChIKey | RILCLFZXOSENQY-UHFFFAOYSA-N |
Product Overview
PI 083 (CAS 119341-57-0), with molecular formula C43H50O16 and molecular weight 822.31 g/mol. IUPAC: 4a,8,12b-trihydroxy-9-(6-hydroxy-5,14-dimethyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione.
Chemical Property Profile of PI 083
Property Insights of PI 083
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PI 083. The TPSA of 223.0 Ų indicates high polarity, suggesting PI 083 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PI 083 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PI 083?
The CAS number of PI 083 is 119341-57-0.
What is the molecular formula of PI 083?
The molecular formula of PI 083 is C43H50O16.
What is the molecular weight of PI 083?
The molecular weight of PI 083 is 822.31 g/mol.
Where can I buy PI 083?
You can request a quote for PI 083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PI 083?
Yes, KEHONG BIO provides custom synthesis services for PI 083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.