Einecs 257-368-2
TL;DR: Einecs 257-368-2 (CAS 51740-69-3) is a chemical compound with molecular formula C44H68O15 and molecular weight 836.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate
Also Known As: 12-(acetyloxy)-3-{[2,6-dideoxy-4-o-methylhexopyranosyl-(1-, 12-(acetyloxy)-3-{[2,6-dideoxy-4-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide, [14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate, Card-20(22)-enolide, 12-(acetyloxy)-3-((O-2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(1.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-,(3beta,5beta,12beta)-
| Molecular Formula | C44H68O15 |
|---|---|
| Molecular Weight | 836.46 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 836.4558 |
| Heavy Atoms | 59 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 51740-69-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)OC(=O)C)C)C)C)O)OC |
| InChIKey | TYDWQEDMABFJDJ-UHFFFAOYSA-N |
Product Overview
Einecs 257-368-2 (CAS 51740-69-3), with molecular formula C44H68O15 and molecular weight 836.46 g/mol. IUPAC: [14-hydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate.
Chemical Property Profile of Einecs 257-368-2
Property Insights of Einecs 257-368-2
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 257-368-2. The TPSA of 198.0 Ų indicates high polarity, suggesting Einecs 257-368-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 257-368-2 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 257-368-2?
The CAS number of Einecs 257-368-2 is 51740-69-3.
What is the molecular formula of Einecs 257-368-2?
The molecular formula of Einecs 257-368-2 is C44H68O15.
What is the molecular weight of Einecs 257-368-2?
The molecular weight of Einecs 257-368-2 is 836.46 g/mol.
Where can I buy Einecs 257-368-2?
You can request a quote for Einecs 257-368-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 257-368-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 257-368-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.