Asiminocin
TL;DR: Asiminocin (CAS 174693-31-3) 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-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Also Known As: Asiminocin, (2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one, (5S)-3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1R,7S)-1,7-dihydroxyundecyl]-[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl]-5-methyl-2,5-dihydrofuran-2-one, (5S)-3-[(13R)-13-[(2R,2a(2)R,5R,5a(2)R)-5a(2)-[(1R,7S)-1,7-Dihydroxyundecyl]octahydro[2,2a(2)-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone, (S)-3-[(R)-13-[[(2R,2 R,5R,5 R)-Octahydro-5 -[(1R,7S)-1,7-dihydroxyundecyl]-2,2 -bifuran]-5-yl]-13-hydroxytridecyl]-5-methylfuran-2(5H)-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 | 25 |
| Exact Mass | 622.48083 |
| Heavy Atoms | 44 |
| Complexity | 800.72156 |
Chemical Identifiers
| CAS Number | 174693-31-3 |
|---|---|
| SMILES | CCCC[C@@H](CCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)O)O)O |
Product Overview
Asiminocin (CAS 174693-31-3), with molecular formula C37H66O7 and molecular weight 622.48 g/mol. IUPAC: (2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of Asiminocin
Property Insights of Asiminocin
The XLogP value of 7.8579 indicates that Asiminocin 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 Asiminocin. Following Lipinski's Rule of Five, Asiminocin 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 Asiminocin?
The CAS number of Asiminocin is 174693-31-3.
What is the molecular formula of Asiminocin?
The molecular formula of Asiminocin is C37H66O7.
What is the molecular weight of Asiminocin?
The molecular weight of Asiminocin is 622.48 g/mol.
Where can I buy Asiminocin?
You can request a quote for Asiminocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asiminocin?
Yes, KEHONG BIO provides custom synthesis services for Asiminocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.