alpha-Peltatin
TL;DR: alpha-Peltatin (CAS 568-53-6) is a chemical compound with molecular formula C21H20O8 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: alpha-Peltatin, alpha-Peltatin A, A-peltatin, .alpha.-Peltatin, PELTATIN, ALPHA
| Molecular Formula | C21H20O8 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.1158 |
| Heavy Atoms | 29 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 568-53-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O |
| InChIKey | JGGWNGRBXJWAOC-HKJPBSJPSA-N |
Product Overview
alpha-Peltatin (CAS 568-53-6), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of alpha-Peltatin
Property Insights of alpha-Peltatin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Peltatin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Peltatin. Following Lipinski's Rule of Five, alpha-Peltatin has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Peltatin?
The CAS number of alpha-Peltatin is 568-53-6.
What is the molecular formula of alpha-Peltatin?
The molecular formula of alpha-Peltatin is C21H20O8.
What is the molecular weight of alpha-Peltatin?
The molecular weight of alpha-Peltatin is 400.12 g/mol.
Where can I buy alpha-Peltatin?
You can request a quote for alpha-Peltatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Peltatin?
Yes, KEHONG BIO provides custom synthesis services for alpha-Peltatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.