Leurubicin
TL;DR: Leurubicin (CAS 70774-25-3) is a chemical compound with molecular formula C33H40N2O12 and molecular weight 656.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-4-methylpentanamide
Also Known As: Leurubicin, Leurubicina, Leurubicine, Leurubicinum, leucyl-doxorubicin
| Molecular Formula | C33H40N2O12 |
|---|---|
| Molecular Weight | 656.26 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 656.2581 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 70774-25-3 |
|---|---|
| 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)CO)O)NC(=O)[C@H](CC(C)C)N)O |
| InChIKey | HROXIDVVXKDCBD-ZUWKMVCBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Leurubicin (CAS 70774-25-3), with molecular formula C33H40N2O12 and molecular weight 656.26 g/mol. IUPAC: (2S)-2-amino-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-4-methylpentanamide.
Chemical Property Profile of Leurubicin
Property Insights of Leurubicin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leurubicin. The TPSA of 235.0 Ų indicates high polarity, suggesting Leurubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leurubicin has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Leurubicin?
The CAS number of Leurubicin is 70774-25-3.
What is the molecular formula of Leurubicin?
The molecular formula of Leurubicin is C33H40N2O12.
What is the molecular weight of Leurubicin?
The molecular weight of Leurubicin is 656.26 g/mol.
Where can I buy Leurubicin?
You can request a quote for Leurubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leurubicin?
Yes, KEHONG BIO provides custom synthesis services for Leurubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.