Pladienolide B
TL;DR: Pladienolide B (CAS 445497-24-5) is a chemical compound with molecular formula C30H48O8 and molecular weight 536.33 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)-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 B, 1-[(4-methylphenyl)methyl]-1-phenylpiperidin-1-ium,bromide, 3-METHYL-[1,2]OXAZOLO[5,4-B]PYRIDINE-5-CARBONYL CHLORIDE, (8E,12E,14E)-7-acetoxy-3,6,21-trihydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide, [(4E)-7,10-dihydroxy-2-[(2E,4E)-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 | C30H48O8 |
|---|---|
| Molecular Weight | 536.33 g/mol |
| LogP | 4.0211 |
| Topological Polar Surface Area | 125.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.3349 |
| Heavy Atoms | 38 |
| Complexity | 875.47864 |
Chemical Identifiers
| CAS Number | 445497-24-5 |
|---|---|
| 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 |
Product Overview
Pladienolide B (CAS 445497-24-5), with molecular formula C30H48O8 and molecular weight 536.33 g/mol. IUPAC: [(4E)-7,10-dihydroxy-2-[(2E,4E)-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 B
Property Insights of Pladienolide B
The XLogP value of 4.0211 indicates that Pladienolide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Pladienolide B. Following Lipinski's Rule of Five, Pladienolide B has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pladienolide B?
The CAS number of Pladienolide B is 445497-24-5.
What is the molecular formula of Pladienolide B?
The molecular formula of Pladienolide B is C30H48O8.
What is the molecular weight of Pladienolide B?
The molecular weight of Pladienolide B is 536.33 g/mol.
Where can I buy Pladienolide B?
You can request a quote for Pladienolide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pladienolide B?
Yes, KEHONG BIO provides custom synthesis services for Pladienolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.