Kijimicin
TL;DR: Kijimicin (CAS 129297-22-9) is a chemical compound with molecular formula C37H64O11 and molecular weight 684.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid
Also Known As: Kijimicin, Kijimycin, 1,6-Dioxaspiro[4.5]decane, monensin deriv., (2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid, (2S,3R,4S)-4-[(3S,5R,6R,7R,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyl-tetrahydrofuran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid
| Molecular Formula | C37H64O11 |
|---|---|
| Molecular Weight | 684.44 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 684.4449 |
| Heavy Atoms | 48 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 129297-22-9 |
|---|---|
| SMILES | CC[C@H]([C@@]1(C[C@@H]([C@](O1)([C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@H]4CC[C@@]5(O4)[C@@H]([C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)OC)C)C)C)O)C)C)O |
| InChIKey | DQQFPJYHEYSNAS-GDDNSUCPSA-N |
Product Overview
Kijimicin (CAS 129297-22-9), with molecular formula C37H64O11 and molecular weight 684.44 g/mol. IUPAC: (2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid.
Chemical Property Profile of Kijimicin
Property Insights of Kijimicin
The XLogP value of 4.8 indicates that Kijimicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Kijimicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kijimicin has 3 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 Kijimicin?
The CAS number of Kijimicin is 129297-22-9.
What is the molecular formula of Kijimicin?
The molecular formula of Kijimicin is C37H64O11.
What is the molecular weight of Kijimicin?
The molecular weight of Kijimicin is 684.44 g/mol.
Where can I buy Kijimicin?
You can request a quote for Kijimicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kijimicin?
Yes, KEHONG BIO provides custom synthesis services for Kijimicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.