2-Demethyl-2-methoxy-24-methyl-hygrolidin
TL;DR: 2-Demethyl-2-methoxy-24-methyl-hygrolidin (CAS 88979-61-7) is a chemical compound with molecular formula C39H60O12 and molecular weight 720.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid
Also Known As: Bafilomycin C1, Bafilomycin-C1, 2-Demethyl-2-methoxy-24-methyl-hygrolidin, Hygrolidin, 2-demethyl-2-methoxy-24-methyl-, (E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid
| Molecular Formula | C39H60O12 |
|---|---|
| Molecular Weight | 720.41 g/mol |
| LogP | 4.8844 |
| Topological Polar Surface Area | 178.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 720.40845 |
| Heavy Atoms | 51 |
| Complexity | 1345.1022 |
Chemical Identifiers
| CAS Number | 88979-61-7 |
|---|---|
| SMILES | C[C@H]1C/C(=C/C=C\[C@@H](C(OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)O)O)O)OC)/C |
Product Overview
2-Demethyl-2-methoxy-24-methyl-hygrolidin (CAS 88979-61-7), with molecular formula C39H60O12 and molecular weight 720.41 g/mol. IUPAC: (E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Demethyl-2-methoxy-24-methyl-hygrolidin
Property Insights of 2-Demethyl-2-methoxy-24-methyl-hygrolidin
The XLogP value of 4.8844 indicates that 2-Demethyl-2-methoxy-24-methyl-hygrolidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.28 Ų indicates high polarity, suggesting 2-Demethyl-2-methoxy-24-methyl-hygrolidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Demethyl-2-methoxy-24-methyl-hygrolidin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Demethyl-2-methoxy-24-methyl-hygrolidin?
The CAS number of 2-Demethyl-2-methoxy-24-methyl-hygrolidin is 88979-61-7.
What is the molecular formula of 2-Demethyl-2-methoxy-24-methyl-hygrolidin?
The molecular formula of 2-Demethyl-2-methoxy-24-methyl-hygrolidin is C39H60O12.
What is the molecular weight of 2-Demethyl-2-methoxy-24-methyl-hygrolidin?
The molecular weight of 2-Demethyl-2-methoxy-24-methyl-hygrolidin is 720.41 g/mol.
Where can I buy 2-Demethyl-2-methoxy-24-methyl-hygrolidin?
You can request a quote for 2-Demethyl-2-methoxy-24-methyl-hygrolidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Demethyl-2-methoxy-24-methyl-hygrolidin?
Yes, KEHONG BIO provides custom synthesis services for 2-Demethyl-2-methoxy-24-methyl-hygrolidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.