Cartilaginomarginadin
TL;DR: Cartilaginomarginadin (CAS 128643-78-7) is a chemical compound with molecular formula C21H22O8 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 2,3-dimethyloxirane-2-carboxylate
Also Known As: Cartilaginomarginadin, Yama-Ninjin 1, YN 1, (10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 2,3-dimethyloxirane-2-carboxylate, 10-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2h,8h-pyrano[2,3-f]chromen-9-yl 2,3-dimethyloxirane-2-carboxylate
| Molecular Formula | C21H22O8 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.13147 |
| Heavy Atoms | 29 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 128643-78-7 |
|---|---|
| SMILES | CC1C(O1)(C)C(=O)OC2C(C3=C(C=CC4=C3OC(=O)C=C4)OC2(C)C)OC(=O)C |
| InChIKey | JATBXVRRSYYPIL-UHFFFAOYSA-N |
Product Overview
Cartilaginomarginadin (CAS 128643-78-7), with molecular formula C21H22O8 and molecular weight 402.13 g/mol. IUPAC: (10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 2,3-dimethyloxirane-2-carboxylate.
Chemical Property Profile of Cartilaginomarginadin
Property Insights of Cartilaginomarginadin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cartilaginomarginadin. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cartilaginomarginadin. Following Lipinski's Rule of Five, Cartilaginomarginadin has 0 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 Cartilaginomarginadin?
The CAS number of Cartilaginomarginadin is 128643-78-7.
What is the molecular formula of Cartilaginomarginadin?
The molecular formula of Cartilaginomarginadin is C21H22O8.
What is the molecular weight of Cartilaginomarginadin?
The molecular weight of Cartilaginomarginadin is 402.13 g/mol.
Where can I buy Cartilaginomarginadin?
You can request a quote for Cartilaginomarginadin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cartilaginomarginadin?
Yes, KEHONG BIO provides custom synthesis services for Cartilaginomarginadin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.