N,N-Dimethyldaunomycin
TL;DR: N,N-Dimethyldaunomycin (CAS 94730-45-7) is a chemical compound with molecular formula C29H33NO10 and molecular weight 555.21 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-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: N,N-Dimethyldaunomycin, N,N-Dimethyldaunorubicin, N,N-Dimethyldaunomycin hydrochloride, 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 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-(dimethylamino)hexopyranoside
| Molecular Formula | C29H33NO10 |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 555.21045 |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 94730-45-7 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(C)C)O |
| InChIKey | MNZPHZWBCGOICS-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyldaunomycin (CAS 94730-45-7), with molecular formula C29H33NO10 and molecular weight 555.21 g/mol. IUPAC: 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of N,N-Dimethyldaunomycin
Property Insights of N,N-Dimethyldaunomycin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyldaunomycin. The TPSA of 163.0 Ų indicates high polarity, suggesting N,N-Dimethyldaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dimethyldaunomycin has 4 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-Dimethyldaunomycin?
The CAS number of N,N-Dimethyldaunomycin is 94730-45-7.
What is the molecular formula of N,N-Dimethyldaunomycin?
The molecular formula of N,N-Dimethyldaunomycin is C29H33NO10.
What is the molecular weight of N,N-Dimethyldaunomycin?
The molecular weight of N,N-Dimethyldaunomycin is 555.21 g/mol.
Where can I buy N,N-Dimethyldaunomycin?
You can request a quote for N,N-Dimethyldaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyldaunomycin?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyldaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.