N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin
TL;DR: N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin (CAS 63554-08-5) is a chemical compound with molecular formula C24H48N6O9 and molecular weight 564.35 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-(methylaminomethyl)oxan-2-yl]oxy-2-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Also Known As: Haba-sagamicin, 3',5'-di-O-mesyl thymidine, N(1)-(4-Amino-2-hydroxy-1-oxobutyl)sagamicin, 4-amino-N-[5-amino-4-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide, 4-amino-n-(5-amino-4-{[2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranosyl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)pentopyranosyl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide
| Molecular Formula | C24H48N6O9 |
|---|---|
| Molecular Weight | 564.35 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 564.34827 |
| Heavy Atoms | 39 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 63554-08-5 |
|---|---|
| SMILES | CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CCC(O3)CNC)N)N)NC(=O)C(CCN)O)O |
| InChIKey | QOMKODISDWOUPR-UHFFFAOYSA-N |
Product Overview
N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin (CAS 63554-08-5), with molecular formula C24H48N6O9 and molecular weight 564.35 g/mol. IUPAC: 4-amino-N-[5-amino-4-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin
Property Insights of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin
The XLogP value of -5.5 indicates that N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.0 Ų indicates high polarity, suggesting N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin?
The CAS number of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin is 63554-08-5.
What is the molecular formula of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin?
The molecular formula of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin is C24H48N6O9.
What is the molecular weight of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin?
The molecular weight of N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin is 564.35 g/mol.
Where can I buy N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin?
You can request a quote for N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin?
Yes, KEHONG BIO provides custom synthesis services for N(1)-(4-amino-2-hydroxy-1-oxobutyl)sagamicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.