N-Dodecanoyl daunorubicin
TL;DR: N-Dodecanoyl daunorubicin (CAS 62327-71-3) is a chemical compound with molecular formula C39H51NO11 and molecular weight 709.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[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]dodecanamide
Also Known As: N-Dodecanoyl daunorubicin, DAUNOMYCIN, N-DODECANOYL, (8S-cis)-8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxododecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione, 3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dodecanoylamino)hexopyranoside, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxododecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
| Molecular Formula | C39H51NO11 |
|---|---|
| Molecular Weight | 709.35 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 709.3462 |
| Heavy Atoms | 51 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 62327-71-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O |
| InChIKey | XJXFAWUIKCXQAL-UHFFFAOYSA-N |
Product Overview
N-Dodecanoyl daunorubicin (CAS 62327-71-3), with molecular formula C39H51NO11 and molecular weight 709.35 g/mol. IUPAC: N-[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]dodecanamide.
Chemical Property Profile of N-Dodecanoyl daunorubicin
Property Insights of N-Dodecanoyl daunorubicin
The XLogP value of 7.2 indicates that N-Dodecanoyl daunorubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting N-Dodecanoyl daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Dodecanoyl daunorubicin 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-Dodecanoyl daunorubicin?
The CAS number of N-Dodecanoyl daunorubicin is 62327-71-3.
What is the molecular formula of N-Dodecanoyl daunorubicin?
The molecular formula of N-Dodecanoyl daunorubicin is C39H51NO11.
What is the molecular weight of N-Dodecanoyl daunorubicin?
The molecular weight of N-Dodecanoyl daunorubicin is 709.35 g/mol.
Where can I buy N-Dodecanoyl daunorubicin?
You can request a quote for N-Dodecanoyl daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Dodecanoyl daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-Dodecanoyl daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.