N,N-Diethyldaunorubicin hydrochloride
TL;DR: N,N-Diethyldaunorubicin hydrochloride (CAS 70844-08-5) is a chemical compound with molecular formula C31H38ClNO10 and molecular weight 619.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: N,N-Diethyldaunorubicin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(diethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, 9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C31H38ClNO10 |
|---|---|
| Molecular Weight | 619.22 g/mol |
| LogP | 2.8338 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 619.21844 |
| Heavy Atoms | 43 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 70844-08-5 |
|---|---|
| SMILES | CCN(CC)C1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O.Cl |
| InChIKey | LPEALLLBPHTTEO-UHFFFAOYSA-N |
Product Overview
N,N-Diethyldaunorubicin hydrochloride (CAS 70844-08-5), with molecular formula C31H38ClNO10 and molecular weight 619.22 g/mol. IUPAC: 9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of N,N-Diethyldaunorubicin hydrochloride
Property Insights of N,N-Diethyldaunorubicin hydrochloride
The XLogP value of 2.8338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyldaunorubicin hydrochloride. The TPSA of 163.0 Ų indicates high polarity, suggesting N,N-Diethyldaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Diethyldaunorubicin hydrochloride 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,N-Diethyldaunorubicin hydrochloride?
The CAS number of N,N-Diethyldaunorubicin hydrochloride is 70844-08-5.
What is the molecular formula of N,N-Diethyldaunorubicin hydrochloride?
The molecular formula of N,N-Diethyldaunorubicin hydrochloride is C31H38ClNO10.
What is the molecular weight of N,N-Diethyldaunorubicin hydrochloride?
The molecular weight of N,N-Diethyldaunorubicin hydrochloride is 619.22 g/mol.
Where can I buy N,N-Diethyldaunorubicin hydrochloride?
You can request a quote for N,N-Diethyldaunorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyldaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyldaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.