Isochaihulactone
TL;DR: Isochaihulactone (CAS 652143-70-9) 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.
(3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
Also Known As: Isochaihulactone, Anhydropodorhizol, J1.979.334F, J2.663.496B, (3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 652143-70-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | CJLVKDPRUXBTJQ-BESIOYJRSA-N |
Product Overview
Isochaihulactone (CAS 652143-70-9), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: (3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one.
Chemical Property Profile of Isochaihulactone
Property Insights of Isochaihulactone
The XLogP value of 3.7 indicates that Isochaihulactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochaihulactone. Following Lipinski's Rule of Five, Isochaihulactone 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 Isochaihulactone?
The CAS number of Isochaihulactone is 652143-70-9.
What is the molecular formula of Isochaihulactone?
The molecular formula of Isochaihulactone is C22H22O7.
What is the molecular weight of Isochaihulactone?
The molecular weight of Isochaihulactone is 398.14 g/mol.
Where can I buy Isochaihulactone?
You can request a quote for Isochaihulactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isochaihulactone?
Yes, KEHONG BIO provides custom synthesis services for Isochaihulactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.