Leucasin
TL;DR: Leucasin (CAS 140231-39-6) is a chemical compound with molecular formula C42H70O12 and molecular weight 766.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1R,3aR,5aR,5bR,7aR,11aR,13aR,13bR)-10-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Leucasin, 3-O-(beta-D-Glucopyranosyl(1-2)beta-D-glucopyranosyl)-2alpha,3beta-dihydroxylup-20(29)-ene, beta-D-Glucopyranoside, (2alpha,3beta)-2-hydroxylup-20(29)-3-yl 2-O-beta-D-glucopyranosyl-, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1R,3aR,5aR,5bR,7aR,11aR,13aR,13bR)-10-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 2-Hydroxylup-20(29)-en-3-yl 2-O-hexopyranosylhexopyranoside
| Molecular Formula | C42H70O12 |
|---|---|
| Molecular Weight | 766.49 g/mol |
| LogP | 2.644 |
| Topological Polar Surface Area | 198.76 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 766.48676 |
| Heavy Atoms | 54 |
| Complexity | 1392.4418 |
Chemical Identifiers
| CAS Number | 140231-39-6 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CCC4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC(C(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)C |
Product Overview
Leucasin (CAS 140231-39-6), with molecular formula C42H70O12 and molecular weight 766.49 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1R,3aR,5aR,5bR,7aR,11aR,13aR,13bR)-10-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Leucasin
Property Insights of Leucasin
The XLogP value of 2.644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leucasin. The TPSA of 198.76 Ų indicates high polarity, suggesting Leucasin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leucasin has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Leucasin?
The CAS number of Leucasin is 140231-39-6.
What is the molecular formula of Leucasin?
The molecular formula of Leucasin is C42H70O12.
What is the molecular weight of Leucasin?
The molecular weight of Leucasin is 766.49 g/mol.
Where can I buy Leucasin?
You can request a quote for Leucasin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leucasin?
Yes, KEHONG BIO provides custom synthesis services for Leucasin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.