Oxyline
TL;DR: Oxyline (CAS 15432-97-0) is a chemical compound with molecular formula C50H80O17 and molecular weight 952.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[14-hydroxy-3-[4-hydroxy-5-[5-[3-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Oxyline, 3-[14-hydroxy-3-[4-hydroxy-5-[5-[3-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-Uzarigenin-3-O-beta-cymaropyranosyl-(1-4)-O-beta-thevetopyranosyl-(1-4)-O-beta-cymaropyranosyl-(1-4)-O-beta digitoxopyranoside, 3-{[2,6-dideoxy-3-o-methylhexopyranosyl-(1->4)-6-deoxy-3-o-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide, 3-(14-hydroxy-3-(4-hydroxy-5-(5-(3-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one
| Molecular Formula | C50H80O17 |
|---|---|
| Molecular Weight | 952.54 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 952.53955 |
| Heavy Atoms | 67 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 15432-97-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(C(C2OC)O)OC3C(OC(CC3OC)OC4C(OC(CC4O)OC5CCC6(C(C5)CCC7C6CCC8(C7(CCC8C9=CC(=O)OC9)O)C)C)C)C)C)OC)O |
| InChIKey | MQKNLRFUHOJEGN-UHFFFAOYSA-N |
Product Overview
Oxyline (CAS 15432-97-0), with molecular formula C50H80O17 and molecular weight 952.54 g/mol. IUPAC: 3-[14-hydroxy-3-[4-hydroxy-5-[5-[3-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Oxyline
Property Insights of Oxyline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyline. The TPSA of 209.0 Ų indicates high polarity, suggesting Oxyline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxyline has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxyline?
The CAS number of Oxyline is 15432-97-0.
What is the molecular formula of Oxyline?
The molecular formula of Oxyline is C50H80O17.
What is the molecular weight of Oxyline?
The molecular weight of Oxyline is 952.54 g/mol.
Where can I buy Oxyline?
You can request a quote for Oxyline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyline?
Yes, KEHONG BIO provides custom synthesis services for Oxyline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.