Muconin
TL;DR: Muconin (CAS 183195-98-4) is a chemical compound with molecular formula C37H66O7 and molecular weight 622.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-[(2R,10S)-2,10-dihydroxy-10-[(2S,6R)-6-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxan-2-yl]decyl]-2-methyl-2H-furan-5-one
Also Known As: muconin, (+)-Muconin, (2S)-4-((2R,10S)-2,10-dihydroxy-10-((2S,6R)-6-((2R,5R)-5-((1R)-1-hydroxytridecyl)oxolan-2-yl)oxan-2-yl)decyl)-2-methyl-2H-furan-5-one, (2S)-4-[(2R,10S)-2,10-dihydroxy-10-[(2S,6R)-6-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxan-2-yl]decyl]-2-methyl-2H-furan-5-one, (5S)-3-[(2R,10S)-2,10-Dihydroxy-10-[(2S)-6alpha-[(2R)-5alpha-[(R)-1-hydroxytridecyl]tetrahydrofuran-2beta-yl]tetrahydro-2H-pyran-2alpha-yl]decyl]-5alpha-methyl-2,5-dihydrofuran-2-one
| Molecular Formula | C37H66O7 |
|---|---|
| Molecular Weight | 622.48 g/mol |
| LogP | 7.8579 |
| Topological Polar Surface Area | 105.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Exact Mass | 622.48083 |
| Heavy Atoms | 44 |
| Complexity | 800.72156 |
Chemical Identifiers
| CAS Number | 183195-98-4 |
|---|---|
| SMILES | CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CCC[C@H](O2)[C@H](CCCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O |
Product Overview
Muconin (CAS 183195-98-4), with molecular formula C37H66O7 and molecular weight 622.48 g/mol. IUPAC: (2S)-4-[(2R,10S)-2,10-dihydroxy-10-[(2S,6R)-6-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxan-2-yl]decyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of Muconin
Property Insights of Muconin
The XLogP value of 7.8579 indicates that Muconin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Muconin. Following Lipinski's Rule of Five, Muconin has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Muconin?
The CAS number of Muconin is 183195-98-4.
What is the molecular formula of Muconin?
The molecular formula of Muconin is C37H66O7.
What is the molecular weight of Muconin?
The molecular weight of Muconin is 622.48 g/mol.
Where can I buy Muconin?
You can request a quote for Muconin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Muconin?
Yes, KEHONG BIO provides custom synthesis services for Muconin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.