N,N-Dimethyldaunorubicin
TL;DR: N,N-Dimethyldaunorubicin (CAS 67508-87-6) 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.
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-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-Dimethyldaunorubicin, N,N-Dimethyldaunomycin, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, (8S)-8-Acetyl-10alpha-[[3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
| 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 | 67508-87-6 |
|---|---|
| SMILES | C[C@H]1[C@H]([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)N(C)C)O |
| InChIKey | MNZPHZWBCGOICS-ORRXYWJWSA-N |
Product Overview
N,N-Dimethyldaunorubicin (CAS 67508-87-6), with molecular formula C29H33NO10 and molecular weight 555.21 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-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-Dimethyldaunorubicin
Property Insights of N,N-Dimethyldaunorubicin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyldaunorubicin. The TPSA of 163.0 Ų indicates high polarity, suggesting N,N-Dimethyldaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dimethyldaunorubicin 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-Dimethyldaunorubicin?
The CAS number of N,N-Dimethyldaunorubicin is 67508-87-6.
What is the molecular formula of N,N-Dimethyldaunorubicin?
The molecular formula of N,N-Dimethyldaunorubicin is C29H33NO10.
What is the molecular weight of N,N-Dimethyldaunorubicin?
The molecular weight of N,N-Dimethyldaunorubicin is 555.21 g/mol.
Where can I buy N,N-Dimethyldaunorubicin?
You can request a quote for N,N-Dimethyldaunorubicin 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?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyldaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.