Aminodeoxybutyrosin A
TL;DR: Aminodeoxybutyrosin A (CAS 49863-03-8) is a chemical compound with molecular formula C21H42N6O11 and molecular weight 554.29 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)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
Also Known As: Aminodeoxybutyrosin A, 5''-Aminodeoxybutirosin A, Uridine,5'-amino-5'-deoxy-5,6-dihydro, D-Streptamine, O-5-amino-5-deoxy-beta-D-xylofuranosyl-(1-5)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
| Molecular Formula | C21H42N6O11 |
|---|---|
| Molecular Weight | 554.29 g/mol |
| LogP | -7.5 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 554.29114 |
| Heavy Atoms | 38 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 49863-03-8 |
|---|---|
| SMILES | C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CN)O)O)OC3C(C(C(C(O3)CN)O)O)N)N |
| InChIKey | IBLOPEHFKHWIOR-UHFFFAOYSA-N |
Product Overview
Aminodeoxybutyrosin A (CAS 49863-03-8), with molecular formula C21H42N6O11 and molecular weight 554.29 g/mol. IUPAC: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of Aminodeoxybutyrosin A
Property Insights of Aminodeoxybutyrosin A
The XLogP value of -7.5 indicates that Aminodeoxybutyrosin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.0 Ų indicates high polarity, suggesting Aminodeoxybutyrosin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aminodeoxybutyrosin A has 12 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 Aminodeoxybutyrosin A?
The CAS number of Aminodeoxybutyrosin A is 49863-03-8.
What is the molecular formula of Aminodeoxybutyrosin A?
The molecular formula of Aminodeoxybutyrosin A is C21H42N6O11.
What is the molecular weight of Aminodeoxybutyrosin A?
The molecular weight of Aminodeoxybutyrosin A is 554.29 g/mol.
Where can I buy Aminodeoxybutyrosin A?
You can request a quote for Aminodeoxybutyrosin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminodeoxybutyrosin A?
Yes, KEHONG BIO provides custom synthesis services for Aminodeoxybutyrosin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.