CAS 52286-74-5 - C42H72O13
TL;DR: CAS 52286-74-5 - C42H72O13 (CAS 52286-74-5) is a chemical compound with molecular formula C42H72O13 and molecular weight 784.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyloct-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5R,9aR,11S)-7,11-dihydroxy-1-[(2S,5E)-2-hydroxy-6-methyloct-5-en-2-yl]-3a,6,6,9a-tetramethyl-tetradecahydrocyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
| Molecular Formula | C42H72O13 |
|---|---|
| Molecular Weight | 784.50 g/mol |
| LogP | 2.1474 |
| Topological Polar Surface Area | 218.99 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 784.4973 |
| Heavy Atoms | 55 |
| Complexity | 1358.163 |
Chemical Identifiers
| CAS Number | 52286-74-5 |
|---|---|
| SMILES | CCC(=CCC[C@@](C)(C1CC[C@]2(C1[C@H](CC3C2C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)C)O)C |
Product Overview
CAS 52286-74-5 - C42H72O13 (CAS 52286-74-5), with molecular formula C42H72O13 and molecular weight 784.50 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyloct-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of CAS 52286-74-5 - C42H72O13
Property Insights of CAS 52286-74-5 - C42H72O13
The XLogP value of 2.1474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 52286-74-5 - C42H72O13. The TPSA of 218.99 Ų indicates high polarity, suggesting CAS 52286-74-5 - C42H72O13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CAS 52286-74-5 - C42H72O13 has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 52286-74-5 - C42H72O13?
The CAS number of CAS 52286-74-5 - C42H72O13 is 52286-74-5.
What is the molecular formula of CAS 52286-74-5 - C42H72O13?
The molecular formula of CAS 52286-74-5 - C42H72O13 is C42H72O13.
What is the molecular weight of CAS 52286-74-5 - C42H72O13?
The molecular weight of CAS 52286-74-5 - C42H72O13 is 784.50 g/mol.
Where can I buy CAS 52286-74-5 - C42H72O13?
You can request a quote for CAS 52286-74-5 - C42H72O13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 52286-74-5 - C42H72O13?
Yes, KEHONG BIO provides custom synthesis services for CAS 52286-74-5 - C42H72O13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.