Cleomiscosin B
TL;DR: Cleomiscosin B (CAS 76985-93-8) 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.
(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Also Known As: Cleomiscosin B, (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one, 9H-Pyrano(2,3-f)-1,4-benzodioxin-9-one, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-, trans-(+-)-, (2R,3R)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-pyrano[2,3-f][1,4]benzodioxin-9-one, (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(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 | 76985-93-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)CO)O |
| InChIKey | XGADTAYOFHOFIW-NVXWUHKLSA-N |
Product Overview
Cleomiscosin B (CAS 76985-93-8), with molecular formula C20H18O8 and molecular weight 386.10 g/mol. IUPAC: (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one.
Chemical Property Profile of Cleomiscosin B
Property Insights of Cleomiscosin B
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cleomiscosin B. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cleomiscosin B. Following Lipinski's Rule of Five, Cleomiscosin B 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 B?
The CAS number of Cleomiscosin B is 76985-93-8.
What is the molecular formula of Cleomiscosin B?
The molecular formula of Cleomiscosin B is C20H18O8.
What is the molecular weight of Cleomiscosin B?
The molecular weight of Cleomiscosin B is 386.10 g/mol.
Where can I buy Cleomiscosin B?
You can request a quote for Cleomiscosin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cleomiscosin B?
Yes, KEHONG BIO provides custom synthesis services for Cleomiscosin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.