N-(L-Leucyl)-daunorubicin
TL;DR: N-(L-Leucyl)-daunorubicin (CAS 681-72-1) is a chemical compound with molecular formula C33H40N2O11 and molecular weight 640.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,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]-2-amino-4-methylpentanamide
Also Known As: N-(L-Leucyl)-daunorubicin, KST-1A7509, (1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl(4xi)-2,3,6-trideoxy-3-(l-leucylamino)-, A-l-threo-hexopyranoside, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(((S)-2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
| Molecular Formula | C33H40N2O11 |
|---|---|
| Molecular Weight | 640.26 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.2632 |
| Heavy Atoms | 46 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 681-72-1 |
|---|---|
| SMILES | C[C@H]1C([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)[C@H](CC(C)C)N)O |
| InChIKey | DZINNPYMYFDDHL-JCAGYPBYSA-N |
Product Overview
N-(L-Leucyl)-daunorubicin (CAS 681-72-1), with molecular formula C33H40N2O11 and molecular weight 640.26 g/mol. IUPAC: (2S)-N-[(2S,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]-2-amino-4-methylpentanamide.
Chemical Property Profile of N-(L-Leucyl)-daunorubicin
Property Insights of N-(L-Leucyl)-daunorubicin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(L-Leucyl)-daunorubicin. The TPSA of 215.0 Ų indicates high polarity, suggesting N-(L-Leucyl)-daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(L-Leucyl)-daunorubicin 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-(L-Leucyl)-daunorubicin?
The CAS number of N-(L-Leucyl)-daunorubicin is 681-72-1.
What is the molecular formula of N-(L-Leucyl)-daunorubicin?
The molecular formula of N-(L-Leucyl)-daunorubicin is C33H40N2O11.
What is the molecular weight of N-(L-Leucyl)-daunorubicin?
The molecular weight of N-(L-Leucyl)-daunorubicin is 640.26 g/mol.
Where can I buy N-(L-Leucyl)-daunorubicin?
You can request a quote for N-(L-Leucyl)-daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(L-Leucyl)-daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-(L-Leucyl)-daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.