Pladienolide D
TL;DR: Pladienolide D (CAS 445487-91-2) is a chemical compound with molecular formula C30H48O9 and molecular weight 552.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
Also Known As: Pladienolide D, J2.041.030B, (8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide, [(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate, (4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetate
| Molecular Formula | C30H48O9 |
|---|---|
| Molecular Weight | 552.33 g/mol |
| LogP | 3.136 |
| Topological Polar Surface Area | 146.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.32983 |
| Heavy Atoms | 39 |
| Complexity | 919.39374 |
Chemical Identifiers
| CAS Number | 445487-91-2 |
|---|---|
| SMILES | CCC(C(C)C1C(O1)CC(C)(/C=C/C=C(\C)/C2C(/C=C/C(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)O)O |
Product Overview
Pladienolide D (CAS 445487-91-2), with molecular formula C30H48O9 and molecular weight 552.33 g/mol. IUPAC: [(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate.
Chemical Property Profile of Pladienolide D
Property Insights of Pladienolide D
The XLogP value of 3.136 indicates that Pladienolide D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.05 Ų indicates high polarity, suggesting Pladienolide D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pladienolide D has 4 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 Pladienolide D?
The CAS number of Pladienolide D is 445487-91-2.
What is the molecular formula of Pladienolide D?
The molecular formula of Pladienolide D is C30H48O9.
What is the molecular weight of Pladienolide D?
The molecular weight of Pladienolide D is 552.33 g/mol.
Where can I buy Pladienolide D?
You can request a quote for Pladienolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pladienolide D?
Yes, KEHONG BIO provides custom synthesis services for Pladienolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.