N-Acetyldoxorubicin hydrochloride
TL;DR: N-Acetyldoxorubicin hydrochloride (CAS 73068-97-0) is a chemical compound with molecular formula C29H32ClNO12 and molecular weight 621.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide;hydrochloride
Also Known As: N-Acetyldoxorubicin hydrochloride, 10-((3-(Acetylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 10-((3-(acetylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-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), N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide hydrochloride
| Molecular Formula | C29H32ClNO12 |
|---|---|
| Molecular Weight | 621.16 g/mol |
| LogP | 0.6005 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 621.1613 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 73068-97-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C)O.Cl |
| InChIKey | PDHLROKTZQEQQU-UHFFFAOYSA-N |
Product Overview
N-Acetyldoxorubicin hydrochloride (CAS 73068-97-0), with molecular formula C29H32ClNO12 and molecular weight 621.16 g/mol. IUPAC: N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide;hydrochloride.
Chemical Property Profile of N-Acetyldoxorubicin hydrochloride
Property Insights of N-Acetyldoxorubicin hydrochloride
The XLogP value of 0.6005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyldoxorubicin hydrochloride. The TPSA of 209.0 Ų indicates high polarity, suggesting N-Acetyldoxorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyldoxorubicin hydrochloride 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 N-Acetyldoxorubicin hydrochloride?
The CAS number of N-Acetyldoxorubicin hydrochloride is 73068-97-0.
What is the molecular formula of N-Acetyldoxorubicin hydrochloride?
The molecular formula of N-Acetyldoxorubicin hydrochloride is C29H32ClNO12.
What is the molecular weight of N-Acetyldoxorubicin hydrochloride?
The molecular weight of N-Acetyldoxorubicin hydrochloride is 621.16 g/mol.
Where can I buy N-Acetyldoxorubicin hydrochloride?
You can request a quote for N-Acetyldoxorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyldoxorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyldoxorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.