Amrubicin Hydrochloride
TL;DR: Amrubicin Hydrochloride (CAS 110311-30-3) is a chemical compound with molecular formula C25H26ClNO9 and molecular weight 519.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: Amrubicin hydrochloride, Amrubicin HCl, Calsed, Amrubicin, AMR hydrochloride
| Molecular Formula | C25H26ClNO9 |
|---|---|
| Molecular Weight | 519.13 g/mol |
| LogP | 1.05 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 519.12964 |
| Heavy Atoms | 36 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 110311-30-3 |
|---|---|
| SMILES | CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5C[C@@H]([C@@H](CO5)O)O)N.Cl |
| InChIKey | BHMLHEQFWVQAJS-IITOGVPQSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amrubicin Hydrochloride (CAS 110311-30-3), with molecular formula C25H26ClNO9 and molecular weight 519.13 g/mol. IUPAC: (7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of Amrubicin Hydrochloride
Property Insights of Amrubicin Hydrochloride
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amrubicin Hydrochloride. The TPSA of 177.0 Ų indicates high polarity, suggesting Amrubicin Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amrubicin Hydrochloride has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amrubicin Hydrochloride?
The CAS number of Amrubicin Hydrochloride is 110311-30-3.
What is the molecular formula of Amrubicin Hydrochloride?
The molecular formula of Amrubicin Hydrochloride is C25H26ClNO9.
What is the molecular weight of Amrubicin Hydrochloride?
The molecular weight of Amrubicin Hydrochloride is 519.13 g/mol.
Where can I buy Amrubicin Hydrochloride?
You can request a quote for Amrubicin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amrubicin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Amrubicin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.