5-Deoxy-5,5-difluoroarbekacin
TL;DR: 5-Deoxy-5,5-difluoroarbekacin (CAS 16886-68-3) is a chemical compound with molecular formula C22H42F2N6O9 and molecular weight 572.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3-difluorocyclohexyl]-2-hydroxybutanamide
Also Known As: 5-Deoxy-5,5-difluoroarbekacin, 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3-difluorocyclohexyl]-2-hydroxybutanamide, 4-amino-n-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxyhexopyranosyl)oxy]-3,3-difluorocyclohexyl}-2-hydroxybutanamide, 4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxyhexopyranosyl)oxy]-3,3-difluorocyclohexyl}-2-hydroxybutanimidic acid, RefChem:102462
| Molecular Formula | C22H42F2N6O9 |
|---|---|
| Molecular Weight | 572.30 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 572.29816 |
| Heavy Atoms | 39 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 16886-68-3 |
|---|---|
| SMILES | C1CC(C(OC1CN)OC2C(CC(C(C2(F)F)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C(CCN)O)N)N |
| InChIKey | XKQNESKQCVITBK-UHFFFAOYSA-N |
Product Overview
5-Deoxy-5,5-difluoroarbekacin (CAS 16886-68-3), with molecular formula C22H42F2N6O9 and molecular weight 572.30 g/mol. IUPAC: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3-difluorocyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of 5-Deoxy-5,5-difluoroarbekacin
Property Insights of 5-Deoxy-5,5-difluoroarbekacin
The XLogP value of -5.5 indicates that 5-Deoxy-5,5-difluoroarbekacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.0 Ų indicates high polarity, suggesting 5-Deoxy-5,5-difluoroarbekacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Deoxy-5,5-difluoroarbekacin has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Deoxy-5,5-difluoroarbekacin?
The CAS number of 5-Deoxy-5,5-difluoroarbekacin is 16886-68-3.
What is the molecular formula of 5-Deoxy-5,5-difluoroarbekacin?
The molecular formula of 5-Deoxy-5,5-difluoroarbekacin is C22H42F2N6O9.
What is the molecular weight of 5-Deoxy-5,5-difluoroarbekacin?
The molecular weight of 5-Deoxy-5,5-difluoroarbekacin is 572.30 g/mol.
Where can I buy 5-Deoxy-5,5-difluoroarbekacin?
You can request a quote for 5-Deoxy-5,5-difluoroarbekacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Deoxy-5,5-difluoroarbekacin?
Yes, KEHONG BIO provides custom synthesis services for 5-Deoxy-5,5-difluoroarbekacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.