N-Maleyldaunomycin
TL;DR: N-Maleyldaunomycin (CAS 80445-76-7) is a chemical compound with molecular formula C31H31NO13 and molecular weight 625.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[6-[(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]amino]-4-oxobut-2-enoic acid
Also Known As: N-Maleyldaunomycin, N-MDM, (E)-4-[[6-[(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]amino]-4-oxobut-2-enoic acid, 5,12-Naphthacenedione, 8-acetyl-10-((3-((3-carboxy-1-oxo-2-propenyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-(8alpha,10alpha(Z)))-, RefChem:163644
| Molecular Formula | C31H31NO13 |
|---|---|
| Molecular Weight | 625.18 g/mol |
| LogP | 0.8272 |
| Topological Polar Surface Area | 226.22 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 625.17957 |
| Heavy Atoms | 45 |
| Complexity | 1663.1627 |
Chemical Identifiers
| CAS Number | 80445-76-7 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)/C=C/C(=O)O)O |
Product Overview
N-Maleyldaunomycin (CAS 80445-76-7), with molecular formula C31H31NO13 and molecular weight 625.18 g/mol. IUPAC: (E)-4-[[6-[(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]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of N-Maleyldaunomycin
Property Insights of N-Maleyldaunomycin
The XLogP value of 0.8272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Maleyldaunomycin. The TPSA of 226.22 Ų indicates high polarity, suggesting N-Maleyldaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Maleyldaunomycin has 6 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 N-Maleyldaunomycin?
The CAS number of N-Maleyldaunomycin is 80445-76-7.
What is the molecular formula of N-Maleyldaunomycin?
The molecular formula of N-Maleyldaunomycin is C31H31NO13.
What is the molecular weight of N-Maleyldaunomycin?
The molecular weight of N-Maleyldaunomycin is 625.18 g/mol.
Where can I buy N-Maleyldaunomycin?
You can request a quote for N-Maleyldaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Maleyldaunomycin?
Yes, KEHONG BIO provides custom synthesis services for N-Maleyldaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.