beta-peltatin A methyl ether
TL;DR: beta-peltatin A methyl ether (CAS 50780-68-2) is a chemical compound with molecular formula C23H24O8 and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,8aR,9R)-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: beta-Peltatin A methyl ether, KRYPTOFIX 23, 4-bromo-NNO-azoxybenzene, beta-Peltatin-methyl-ether, beta-Peltatin A methylether
| Molecular Formula | C23H24O8 |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.14713 |
| Heavy Atoms | 31 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 50780-68-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)OC)COC3=O |
| InChIKey | BFKORKXLSJUYSS-RQUSPXKASA-N |
Product Overview
beta-peltatin A methyl ether (CAS 50780-68-2), with molecular formula C23H24O8 and molecular weight 428.15 g/mol. IUPAC: (5aR,8aR,9R)-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of beta-peltatin A methyl ether
Property Insights of beta-peltatin A methyl ether
The XLogP value of 3.3 indicates that beta-peltatin A methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-peltatin A methyl ether. Following Lipinski's Rule of Five, beta-peltatin A methyl ether has 0 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 beta-peltatin A methyl ether?
The CAS number of beta-peltatin A methyl ether is 50780-68-2.
What is the molecular formula of beta-peltatin A methyl ether?
The molecular formula of beta-peltatin A methyl ether is C23H24O8.
What is the molecular weight of beta-peltatin A methyl ether?
The molecular weight of beta-peltatin A methyl ether is 428.15 g/mol.
Where can I buy beta-peltatin A methyl ether?
You can request a quote for beta-peltatin A methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-peltatin A methyl ether?
Yes, KEHONG BIO provides custom synthesis services for beta-peltatin A methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.