Cerubidine
TL;DR: Cerubidine (CAS 67463-64-3) is a chemical compound with molecular formula C27H30ClNO10 and molecular weight 563.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2R,4R,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: Cerubidine, 3'-Epidaunomycin hydrochloride, 3'-Epidaunorubicin hydrochloride, 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-t, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-
| Molecular Formula | C27H30ClNO10 |
|---|---|
| Molecular Weight | 563.16 g/mol |
| LogP | 1.4507 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 563.1558 |
| Heavy Atoms | 39 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 67463-64-3 |
|---|---|
| SMILES | C[C@H]1[C@H]([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)C)O)N)O.Cl |
| InChIKey | GUGHGUXZJWAIAS-WLAZPUTRSA-N |
Product Overview
Cerubidine (CAS 67463-64-3), with molecular formula C27H30ClNO10 and molecular weight 563.16 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4R,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of Cerubidine
Property Insights of Cerubidine
The XLogP value of 1.4507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cerubidine. The TPSA of 186.0 Ų indicates high polarity, suggesting Cerubidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cerubidine 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 Cerubidine?
The CAS number of Cerubidine is 67463-64-3.
What is the molecular formula of Cerubidine?
The molecular formula of Cerubidine is C27H30ClNO10.
What is the molecular weight of Cerubidine?
The molecular weight of Cerubidine is 563.16 g/mol.
Where can I buy Cerubidine?
You can request a quote for Cerubidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cerubidine?
Yes, KEHONG BIO provides custom synthesis services for Cerubidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.