EINECS 244-139-7
TL;DR: EINECS 244-139-7 (CAS 20991-71-3) is a chemical compound with molecular formula C43H66O15 and molecular weight 822.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-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: [3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-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|12-(Acetyloxy)-3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
| Molecular Formula | C43H66O15 |
|---|---|
| Molecular Weight | 822.44 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 822.4402 |
| Heavy Atoms | 58 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 20991-71-3 |
|---|---|
| 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)O |
| InChIKey | RNBLZKNCMWHSIG-UHFFFAOYSA-N |
Product Overview
EINECS 244-139-7 (CAS 20991-71-3), with molecular formula C43H66O15 and molecular weight 822.44 g/mol. IUPAC: [3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-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 244-139-7
Property Insights of EINECS 244-139-7
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 244-139-7. The TPSA of 209.0 Ų indicates high polarity, suggesting EINECS 244-139-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 244-139-7 has 5 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 244-139-7?
The CAS number of EINECS 244-139-7 is 20991-71-3.
What is the molecular formula of EINECS 244-139-7?
The molecular formula of EINECS 244-139-7 is C43H66O15.
What is the molecular weight of EINECS 244-139-7?
The molecular weight of EINECS 244-139-7 is 822.44 g/mol.
Where can I buy EINECS 244-139-7?
You can request a quote for EINECS 244-139-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 244-139-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 244-139-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.