Einecs 257-367-7
TL;DR: Einecs 257-367-7 (CAS 51740-66-0) is a chemical compound with molecular formula C43H68O14 and molecular weight 808.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[5-[5-(4,5-dimethoxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-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: 3-{[2,6-dideoxy-3,4-di-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, Card-20(22)-enolide, 3-((O-2,6-dideoxy-3,4-di-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)-12,14-dihydroxy-, (3beta,5beta,12beta)-, (3beta,5beta,12beta)-3-[(O-2,6-Dideoxy-3,4-di-O-methyl-beta-D-ribo-hexopyranosyl-(1 to 4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1 to 4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-card-20(22)-enolide, 3-[3-[5-[5-(4,5-dimethoxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-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, Card-20(22)-enolide, 3-((O-2,6-dideoxy-3,4-di-O-methyl-beta-D-ribo-hexopyranosyl-(14)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(14)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5
| Molecular Formula | C43H68O14 |
|---|---|
| Molecular Weight | 808.46 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 808.4609 |
| Heavy Atoms | 57 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 51740-66-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC)OC)O |
| InChIKey | NWWMTMVMHKTERH-UHFFFAOYSA-N |
Product Overview
Einecs 257-367-7 (CAS 51740-66-0), with molecular formula C43H68O14 and molecular weight 808.46 g/mol. IUPAC: 3-[3-[5-[5-(4,5-dimethoxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-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 Einecs 257-367-7
Property Insights of Einecs 257-367-7
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 257-367-7. The TPSA of 181.0 Ų indicates high polarity, suggesting Einecs 257-367-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 257-367-7 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 257-367-7?
The CAS number of Einecs 257-367-7 is 51740-66-0.
What is the molecular formula of Einecs 257-367-7?
The molecular formula of Einecs 257-367-7 is C43H68O14.
What is the molecular weight of Einecs 257-367-7?
The molecular weight of Einecs 257-367-7 is 808.46 g/mol.
Where can I buy Einecs 257-367-7?
You can request a quote for Einecs 257-367-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 257-367-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 257-367-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.