Kadsurin A
TL;DR: Kadsurin A (CAS 99340-07-5) is a chemical compound with molecular formula C21H24O6 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,3aS,7aR)-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one
Also Known As: Kadsurin A, (-)-Kadsurin A, HY-N3436, (2S,3R,3aS,7aR)-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one, 6(2H)-Benzofuranone,2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propenyl)-, (2S,3R,3aS,7aR)-
| Molecular Formula | C21H24O6 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.1573 |
| Heavy Atoms | 27 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 99340-07-5 |
|---|---|
| SMILES | C[C@@H]1[C@H](O[C@]2([C@@]1(C=C(C(=O)C2)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 |
| InChIKey | YVRYZXAHRGGELT-MZNUGIIHSA-N |
Product Overview
Kadsurin A (CAS 99340-07-5), with molecular formula C21H24O6 and molecular weight 372.16 g/mol. IUPAC: (2S,3R,3aS,7aR)-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one.
Chemical Property Profile of Kadsurin A
Property Insights of Kadsurin A
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kadsurin A. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Kadsurin A. Following Lipinski's Rule of Five, Kadsurin A has 0 hydrogen bond donor(s) and 6 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 Kadsurin A?
The CAS number of Kadsurin A is 99340-07-5.
What is the molecular formula of Kadsurin A?
The molecular formula of Kadsurin A is C21H24O6.
What is the molecular weight of Kadsurin A?
The molecular weight of Kadsurin A is 372.16 g/mol.
Where can I buy Kadsurin A?
You can request a quote for Kadsurin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kadsurin A?
Yes, KEHONG BIO provides custom synthesis services for Kadsurin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.