N,N-Dimethyldaunorubicin hydrochloride
TL;DR: N,N-Dimethyldaunorubicin hydrochloride (CAS 70095-84-0) is a chemical compound with molecular formula C29H34ClNO10 and molecular weight 591.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-1,6,9-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: N,N-Dimethyldaunorubicin hydrochloride, N,N-Dimethyldaunomycin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-1,6,9-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride, 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-1,6,9-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C29H34ClNO10 |
|---|---|
| Molecular Weight | 591.19 g/mol |
| LogP | 2.0536 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 591.18713 |
| Heavy Atoms | 41 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 70095-84-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)O)OC)(C(=O)C)O)N(C)C)O.Cl |
| InChIKey | PQICIELCESTBRG-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyldaunorubicin hydrochloride (CAS 70095-84-0), with molecular formula C29H34ClNO10 and molecular weight 591.19 g/mol. IUPAC: 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-1,6,9-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of N,N-Dimethyldaunorubicin hydrochloride
Property Insights of N,N-Dimethyldaunorubicin hydrochloride
The XLogP value of 2.0536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyldaunorubicin hydrochloride. The TPSA of 163.0 Ų indicates high polarity, suggesting N,N-Dimethyldaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dimethyldaunorubicin 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-Dimethyldaunorubicin hydrochloride?
The CAS number of N,N-Dimethyldaunorubicin hydrochloride is 70095-84-0.
What is the molecular formula of N,N-Dimethyldaunorubicin hydrochloride?
The molecular formula of N,N-Dimethyldaunorubicin hydrochloride is C29H34ClNO10.
What is the molecular weight of N,N-Dimethyldaunorubicin hydrochloride?
The molecular weight of N,N-Dimethyldaunorubicin hydrochloride is 591.19 g/mol.
Where can I buy N,N-Dimethyldaunorubicin hydrochloride?
You can request a quote for N,N-Dimethyldaunorubicin 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-Dimethyldaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyldaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.