Ladirubicin
TL;DR: Ladirubicin (CAS 171047-47-5) is a chemical compound with molecular formula C29H31NO11S and molecular weight 601.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-(aziridin-1-yl)-2-methyloxan-3-yl] methanesulfonate
Also Known As: Ladirubicin, ladirubicina, ladirubicine, Ladirubicin [INN], ladirubicinum
| Molecular Formula | C29H31NO11S |
|---|---|
| Molecular Weight | 601.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 601.1618 |
| Heavy Atoms | 42 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 171047-47-5 |
|---|---|
| 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=CC=CC=C5C4=O)O)(C(=O)C)O)N6CC6)OS(=O)(=O)C |
| InChIKey | VMDWTZZCNDEKIO-CBNJBKGYSA-N |
Product Overview
Ladirubicin (CAS 171047-47-5), with molecular formula C29H31NO11S and molecular weight 601.16 g/mol. IUPAC: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-(aziridin-1-yl)-2-methyloxan-3-yl] methanesulfonate.
Chemical Property Profile of Ladirubicin
Property Insights of Ladirubicin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ladirubicin. The TPSA of 185.0 Ų indicates high polarity, suggesting Ladirubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ladirubicin has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ladirubicin?
The CAS number of Ladirubicin is 171047-47-5.
What is the molecular formula of Ladirubicin?
The molecular formula of Ladirubicin is C29H31NO11S.
What is the molecular weight of Ladirubicin?
The molecular weight of Ladirubicin is 601.16 g/mol.
Where can I buy Ladirubicin?
You can request a quote for Ladirubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ladirubicin?
Yes, KEHONG BIO provides custom synthesis services for Ladirubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.