Calodendrolide
TL;DR: Calodendrolide (CAS 35986-56-2) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a,8-dimethyl-1a,4,5,6-tetrahydrooxireno[2,3-d]isochromen-2-one
Also Known As: Calodendrolide, (1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a,8-dimethyl-1a,4,5,6-tetrahydrooxireno[2,3-d]isochromen-2-one, (1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a,8-dimethyl-1a,4,5,6-tetrahydrooxireno(2,3-d)isochromen-2-one, (1aS,8aS)-4beta-(3-Furyl)-4,4a,5,6-tetrahydro-4abeta,8-dimethyloxireno[d][2]benzopyran-2(1aH)-one, (1S,3S,6S,7S)-6-(furan-3-yl)-7,11-dimethyl-2,5-dioxatricyclo[5.4.0.01,3]undec-10-en-4-one
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 35986-56-2 |
|---|---|
| SMILES | CC1=CCC[C@@]2([C@]13[C@H](O3)C(=O)O[C@H]2C4=COC=C4)C |
| InChIKey | RCGHAGIMQPCIRT-MYZSUADSSA-N |
Product Overview
Calodendrolide (CAS 35986-56-2), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: (1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a,8-dimethyl-1a,4,5,6-tetrahydrooxireno[2,3-d]isochromen-2-one.
Chemical Property Profile of Calodendrolide
Property Insights of Calodendrolide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calodendrolide. With a topological polar surface area (TPSA) of 52.0 Ų, Calodendrolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calodendrolide has 0 hydrogen bond donor(s) and 4 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 Calodendrolide?
The CAS number of Calodendrolide is 35986-56-2.
What is the molecular formula of Calodendrolide?
The molecular formula of Calodendrolide is C15H16O4.
What is the molecular weight of Calodendrolide?
The molecular weight of Calodendrolide is 260.10 g/mol.
Where can I buy Calodendrolide?
You can request a quote for Calodendrolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calodendrolide?
Yes, KEHONG BIO provides custom synthesis services for Calodendrolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.