Aldoxorubicin
TL;DR: Aldoxorubicin (CAS 1361644-26-9) is a chemical compound with molecular formula C37H42N4O13 and molecular weight 750.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide
Also Known As: ALDOXORUBICIN, aldoxorubicine, Doxorubicin-EMCH, aldoxorubicina, adoxorubicin
| Molecular Formula | C37H42N4O13 |
|---|---|
| Molecular Weight | 750.27 g/mol |
| LogP | 0.3898 |
| Topological Polar Surface Area | 267.84 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 750.27484 |
| Heavy Atoms | 54 |
| Complexity | 1931.4008 |
Chemical Identifiers
| CAS Number | 1361644-26-9 |
|---|---|
| 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(=N/NC(=O)CCCCCN6C(=O)C=CC6=O)/CO)O)N)O |
Product Overview
Aldoxorubicin (CAS 1361644-26-9), with molecular formula C37H42N4O13 and molecular weight 750.27 g/mol. IUPAC: N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide.
Chemical Property Profile of Aldoxorubicin
Property Insights of Aldoxorubicin
The XLogP value of 0.3898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aldoxorubicin. The TPSA of 267.84 Ų indicates high polarity, suggesting Aldoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aldoxorubicin has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aldoxorubicin?
The CAS number of Aldoxorubicin is 1361644-26-9.
What is the molecular formula of Aldoxorubicin?
The molecular formula of Aldoxorubicin is C37H42N4O13.
What is the molecular weight of Aldoxorubicin?
The molecular weight of Aldoxorubicin is 750.27 g/mol.
Where can I buy Aldoxorubicin?
You can request a quote for Aldoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aldoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for Aldoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.