Cleomiscosin A
TL;DR: Cleomiscosin A (CAS 76948-72-6) is a chemical compound with molecular formula C20H18O8 and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Also Known As: Cleomiscosin A, (2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one, 3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9h-[1,4]dioxino[2,3-h]chromen-9-one, 3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one, (2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
| Molecular Formula | C20H18O8 |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.10016 |
| Heavy Atoms | 28 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 76948-72-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O |
| InChIKey | OCBGWPJNUZMLCA-UHFFFAOYSA-N |
Product Overview
Cleomiscosin A (CAS 76948-72-6), with molecular formula C20H18O8 and molecular weight 386.10 g/mol. IUPAC: 3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one.
Chemical Property Profile of Cleomiscosin A
Property Insights of Cleomiscosin A
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cleomiscosin A. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cleomiscosin A. Following Lipinski's Rule of Five, Cleomiscosin A has 2 hydrogen bond donor(s) and 8 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 Cleomiscosin A?
The CAS number of Cleomiscosin A is 76948-72-6.
What is the molecular formula of Cleomiscosin A?
The molecular formula of Cleomiscosin A is C20H18O8.
What is the molecular weight of Cleomiscosin A?
The molecular weight of Cleomiscosin A is 386.10 g/mol.
Where can I buy Cleomiscosin A?
You can request a quote for Cleomiscosin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cleomiscosin A?
Yes, KEHONG BIO provides custom synthesis services for Cleomiscosin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.