Butakacin
TL;DR: Butakacin (CAS 130592-05-1) is a chemical compound with molecular formula C23H44FN5O15 and molecular weight 649.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-fluorobutanamide;carbonic acid
Also Known As: Butakacin, (S)-2'''-Deoxy-2'''-fluoroamikacin carbonate, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-N(sup 1)-(4-amino-2-fluoro-1-oxobutyl)-2-deoxy-, (S)-, carbonate (1:1) (salt), 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-fluorobutanamide; carbonic acid, 4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-6-deoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-fluorobutanimidic acid--carbonic acid (1/1)
| Molecular Formula | C23H44FN5O15 |
|---|---|
| Molecular Weight | 649.28 g/mol |
| LogP | -7.2246 |
| Topological Polar Surface Area | 369.24 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 649.2818 |
| Heavy Atoms | 44 |
| Complexity | 908.0597 |
Chemical Identifiers
| CAS Number | 130592-05-1 |
|---|---|
| SMILES | C1C(C(C(C(C1NC(=O)C(CCN)F)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N.C(=O)(O)O |
Product Overview
Butakacin (CAS 130592-05-1), with molecular formula C23H44FN5O15 and molecular weight 649.28 g/mol. IUPAC: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-fluorobutanamide;carbonic acid.
Chemical Property Profile of Butakacin
Property Insights of Butakacin
The XLogP value of -7.2246 indicates that Butakacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 369.24 Ų indicates high polarity, suggesting Butakacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butakacin has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butakacin?
The CAS number of Butakacin is 130592-05-1.
What is the molecular formula of Butakacin?
The molecular formula of Butakacin is C23H44FN5O15.
What is the molecular weight of Butakacin?
The molecular weight of Butakacin is 649.28 g/mol.
Where can I buy Butakacin?
You can request a quote for Butakacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butakacin?
Yes, KEHONG BIO provides custom synthesis services for Butakacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.