Esorubicin
TL;DR: Esorubicin (CAS 63521-85-7) is a chemical compound with molecular formula C27H29NO10 and molecular weight 527.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2S,4R,6S)-4-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Esorubicin, Esorubicina, Esorubicine, Esorubicinum, 4'-Deoxyadriamycin
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 63521-85-7 |
|---|---|
| SMILES | C[C@H]1C[C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N |
| InChIKey | ITSGNOIFAJAQHJ-BMFNZSJVSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esorubicin (CAS 63521-85-7), with molecular formula C27H29NO10 and molecular weight 527.18 g/mol. IUPAC: (7S,9S)-7-[(2S,4R,6S)-4-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Esorubicin
Property Insights of Esorubicin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esorubicin. The TPSA of 186.0 Ų indicates high polarity, suggesting Esorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Esorubicin has 5 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 Esorubicin?
The CAS number of Esorubicin is 63521-85-7.
What is the molecular formula of Esorubicin?
The molecular formula of Esorubicin is C27H29NO10.
What is the molecular weight of Esorubicin?
The molecular weight of Esorubicin is 527.18 g/mol.
Where can I buy Esorubicin?
You can request a quote for Esorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esorubicin?
Yes, KEHONG BIO provides custom synthesis services for Esorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.