Aclarubicin Hydrochloride
TL;DR: Aclarubicin Hydrochloride (CAS 75443-99-1) is a chemical compound with molecular formula C42H54ClNO15 and molecular weight 847.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate;hydrochloride
Also Known As: Aclarubicin hydrochloride, Aclacinon, Aclaplastin, Aclarubicin HCl, Aclacinomycin A hydrochloride
| Molecular Formula | C42H54ClNO15 |
|---|---|
| Molecular Weight | 847.32 g/mol |
| LogP | 3.5795 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 847.3182 |
| Heavy Atoms | 59 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 75443-99-1 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O.Cl |
| InChIKey | KUSMIBXCRZTVML-PCCPLWKKSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aclarubicin Hydrochloride (CAS 75443-99-1), with molecular formula C42H54ClNO15 and molecular weight 847.32 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate;hydrochloride.
Chemical Property Profile of Aclarubicin Hydrochloride
Property Insights of Aclarubicin Hydrochloride
The XLogP value of 3.5795 indicates that Aclarubicin Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting Aclarubicin Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aclarubicin Hydrochloride has 5 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 Aclarubicin Hydrochloride?
The CAS number of Aclarubicin Hydrochloride is 75443-99-1.
What is the molecular formula of Aclarubicin Hydrochloride?
The molecular formula of Aclarubicin Hydrochloride is C42H54ClNO15.
What is the molecular weight of Aclarubicin Hydrochloride?
The molecular weight of Aclarubicin Hydrochloride is 847.32 g/mol.
Where can I buy Aclarubicin Hydrochloride?
You can request a quote for Aclarubicin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aclarubicin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Aclarubicin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.