Isodonine
TL;DR: Isodonine (CAS 3776-39-4) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,6S,8R,9S,12S,13S,16R)-6,9-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Also Known As: Isodonin, Isodonine, Enmein, Sculponeatin D, dihydroxy-dimethyl-methylene-[?]dione
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 3776-39-4 |
|---|---|
| SMILES | CC1([C@H](C[C@H]2[C@]3([C@@H]1[C@H](OC3)O)[C@@H]4CC[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C |
| InChIKey | MQOJPNKACWKUGI-UJBBOIRVSA-N |
Product Overview
Isodonine (CAS 3776-39-4), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: (1S,4S,6S,8R,9S,12S,13S,16R)-6,9-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione.
Chemical Property Profile of Isodonine
Property Insights of Isodonine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodonine. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodonine. Following Lipinski's Rule of Five, Isodonine has 2 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 Isodonine?
The CAS number of Isodonine is 3776-39-4.
What is the molecular formula of Isodonine?
The molecular formula of Isodonine is C20H26O6.
What is the molecular weight of Isodonine?
The molecular weight of Isodonine is 362.17 g/mol.
Where can I buy Isodonine?
You can request a quote for Isodonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodonine?
Yes, KEHONG BIO provides custom synthesis services for Isodonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.