Desmethoxy-beta-peltatin A methyl ether
TL;DR: Desmethoxy-beta-peltatin A methyl ether (CAS 32970-80-2) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: Desmethoxy-beta-peltatin A methyl ether, (5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, (5R,5aR,8aR)-5-(3,4-Dimethoxyphenyl)-10-methoxy-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one, RefChem:336823
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 2.9183 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 983.61145 |
Chemical Identifiers
| CAS Number | 32970-80-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)OC)COC3=O)OC |
Product Overview
Desmethoxy-beta-peltatin A methyl ether (CAS 32970-80-2), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: (5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of Desmethoxy-beta-peltatin A methyl ether
Property Insights of Desmethoxy-beta-peltatin A methyl ether
The XLogP value of 2.9183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethoxy-beta-peltatin A methyl ether. The TPSA of 72.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethoxy-beta-peltatin A methyl ether. Following Lipinski's Rule of Five, Desmethoxy-beta-peltatin A methyl ether has 0 hydrogen bond donor(s) and 7 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 Desmethoxy-beta-peltatin A methyl ether?
The CAS number of Desmethoxy-beta-peltatin A methyl ether is 32970-80-2.
What is the molecular formula of Desmethoxy-beta-peltatin A methyl ether?
The molecular formula of Desmethoxy-beta-peltatin A methyl ether is C22H22O7.
What is the molecular weight of Desmethoxy-beta-peltatin A methyl ether?
The molecular weight of Desmethoxy-beta-peltatin A methyl ether is 398.14 g/mol.
Where can I buy Desmethoxy-beta-peltatin A methyl ether?
You can request a quote for Desmethoxy-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 Desmethoxy-beta-peltatin A methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Desmethoxy-beta-peltatin A methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.