N-Acetyldaunomycin hydrochloride
TL;DR: N-Acetyldaunomycin hydrochloride (CAS 38411-68-6) is a chemical compound with molecular formula C29H32ClNO11 and molecular weight 605.17 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]acetamide;hydrochloride
Also Known As: N-Acetyldaunomycin hydrochloride, 5,12-Naphthacenedione, 8-acetyl-10-((3-(acetylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-, Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside--hydrogen chloride (1/1), 3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(acetylamino)-2,3,6-trideoxyhexopyranoside hydrochloride(1:1)
| Molecular Formula | C29H32ClNO11 |
|---|---|
| Molecular Weight | 605.17 g/mol |
| LogP | 1.6281 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 605.1664 |
| Heavy Atoms | 42 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 38411-68-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)C)O.Cl |
| InChIKey | NBGLMCIZAKQRCM-UHFFFAOYSA-N |
Product Overview
N-Acetyldaunomycin hydrochloride (CAS 38411-68-6), with molecular formula C29H32ClNO11 and molecular weight 605.17 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]acetamide;hydrochloride.
Chemical Property Profile of N-Acetyldaunomycin hydrochloride
Property Insights of N-Acetyldaunomycin hydrochloride
The XLogP value of 1.6281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyldaunomycin hydrochloride. The TPSA of 189.0 Ų indicates high polarity, suggesting N-Acetyldaunomycin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyldaunomycin hydrochloride has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetyldaunomycin hydrochloride?
The CAS number of N-Acetyldaunomycin hydrochloride is 38411-68-6.
What is the molecular formula of N-Acetyldaunomycin hydrochloride?
The molecular formula of N-Acetyldaunomycin hydrochloride is C29H32ClNO11.
What is the molecular weight of N-Acetyldaunomycin hydrochloride?
The molecular weight of N-Acetyldaunomycin hydrochloride is 605.17 g/mol.
Where can I buy N-Acetyldaunomycin hydrochloride?
You can request a quote for N-Acetyldaunomycin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyldaunomycin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyldaunomycin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.