L-Isoleucyldaunorubin HCl
TL;DR: L-Isoleucyldaunorubin HCl (CAS 74853-77-3) is a chemical compound with molecular formula C33H41ClN2O11 and molecular weight 676.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide;hydrochloride
Also Known As: L-Isoleucyldaunorubin HCl, L-Isoleucyldaunorubin monohydrochloride, N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide;hydrochloride, 5,12-Naphthacenedione, 8-acetyl-10-((3-((2-amino-3-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-(8alpha,10alpha(R*)))-, 8-Acetyl-10-((3-((2-amino-3-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione monohydrochloride, (8S-(8alpha,10alpha(R*)))-
| Molecular Formula | C33H41ClN2O11 |
|---|---|
| Molecular Weight | 676.24 g/mol |
| LogP | 1.9816 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 676.23987 |
| Heavy Atoms | 47 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 74853-77-3 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N.Cl |
| InChIKey | GOCQMUGJQSYUHJ-UHFFFAOYSA-N |
Product Overview
L-Isoleucyldaunorubin HCl (CAS 74853-77-3), with molecular formula C33H41ClN2O11 and molecular weight 676.24 g/mol. IUPAC: N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide;hydrochloride.
Chemical Property Profile of L-Isoleucyldaunorubin HCl
Property Insights of L-Isoleucyldaunorubin HCl
The XLogP value of 1.9816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Isoleucyldaunorubin HCl. The TPSA of 215.0 Ų indicates high polarity, suggesting L-Isoleucyldaunorubin HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Isoleucyldaunorubin HCl has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Isoleucyldaunorubin HCl?
The CAS number of L-Isoleucyldaunorubin HCl is 74853-77-3.
What is the molecular formula of L-Isoleucyldaunorubin HCl?
The molecular formula of L-Isoleucyldaunorubin HCl is C33H41ClN2O11.
What is the molecular weight of L-Isoleucyldaunorubin HCl?
The molecular weight of L-Isoleucyldaunorubin HCl is 676.24 g/mol.
Where can I buy L-Isoleucyldaunorubin HCl?
You can request a quote for L-Isoleucyldaunorubin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Isoleucyldaunorubin HCl?
Yes, KEHONG BIO provides custom synthesis services for L-Isoleucyldaunorubin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.