beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin
TL;DR: beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin (CAS 89617-36-7) is a chemical compound with molecular formula C32H34N2O11 and molecular weight 622.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
Also Known As: beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin, (8S-cis)-8-Acetyl-10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione, 5,12-Naphthacenedione, 8-acetyl-10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, 8-Acetyl-10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione (8S-cis)-, 4-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-di
| Molecular Formula | C32H34N2O11 |
|---|---|
| Molecular Weight | 622.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 622.21625 |
| Heavy Atoms | 45 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 89617-36-7 |
|---|---|
| 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)N6CCOCC6C#N)O |
| InChIKey | HTTPDXWOJNATIS-ARONJAMBSA-N |
Product Overview
beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin (CAS 89617-36-7), with molecular formula C32H34N2O11 and molecular weight 622.22 g/mol. IUPAC: 4-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile.
Chemical Property Profile of beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin
Property Insights of beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin. The TPSA of 196.0 Ų indicates high polarity, suggesting beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin has 4 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 beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin?
The CAS number of beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin is 89617-36-7.
What is the molecular formula of beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin?
The molecular formula of beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin is C32H34N2O11.
What is the molecular weight of beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin?
The molecular weight of beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin is 622.22 g/mol.
Where can I buy beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin?
You can request a quote for beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin?
Yes, KEHONG BIO provides custom synthesis services for beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.