N-Methyldaunomycin
TL;DR: N-Methyldaunomycin (CAS 67508-86-5) is a chemical compound with molecular formula C28H31NO10 and molecular weight 541.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: N-Methyldaunomycin, N-Methyldaunorubicin, CH2-DM1, DM1-CH2, J1.683.729F
| Molecular Formula | C28H31NO10 |
|---|---|
| Molecular Weight | 541.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1948 |
| Heavy Atoms | 39 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 67508-86-5 |
|---|---|
| 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=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC)O |
| InChIKey | NQDLNSRKFPKZCV-RWNSZTQCSA-N |
Product Overview
N-Methyldaunomycin (CAS 67508-86-5), with molecular formula C28H31NO10 and molecular weight 541.19 g/mol. IUPAC: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of N-Methyldaunomycin
Property Insights of N-Methyldaunomycin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyldaunomycin. The TPSA of 172.0 Ų indicates high polarity, suggesting N-Methyldaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Methyldaunomycin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Methyldaunomycin?
The CAS number of N-Methyldaunomycin is 67508-86-5.
What is the molecular formula of N-Methyldaunomycin?
The molecular formula of N-Methyldaunomycin is C28H31NO10.
What is the molecular weight of N-Methyldaunomycin?
The molecular weight of N-Methyldaunomycin is 541.19 g/mol.
Where can I buy N-Methyldaunomycin?
You can request a quote for N-Methyldaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyldaunomycin?
Yes, KEHONG BIO provides custom synthesis services for N-Methyldaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.