N,N-Dimethyldoxorubicin
TL;DR: N,N-Dimethyldoxorubicin (CAS 70222-95-6) is a chemical compound with molecular formula C29H33NO11 and molecular weight 571.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: N,N-Dimethyldoxorubicin, N,N-Dimethyladriamycin, AD 280, (7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, (7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C29H33NO11 |
|---|---|
| Molecular Weight | 571.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 571.2054 |
| Heavy Atoms | 41 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 70222-95-6 |
|---|---|
| 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)CO)O)N(C)C)O |
| InChIKey | DJEFXYVVRUAFEB-KYZOVJJKSA-N |
Product Overview
N,N-Dimethyldoxorubicin (CAS 70222-95-6), with molecular formula C29H33NO11 and molecular weight 571.21 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of N,N-Dimethyldoxorubicin
Property Insights of N,N-Dimethyldoxorubicin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyldoxorubicin. The TPSA of 183.0 Ų indicates high polarity, suggesting N,N-Dimethyldoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dimethyldoxorubicin has 5 hydrogen bond donor(s) and 12 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-Dimethyldoxorubicin?
The CAS number of N,N-Dimethyldoxorubicin is 70222-95-6.
What is the molecular formula of N,N-Dimethyldoxorubicin?
The molecular formula of N,N-Dimethyldoxorubicin is C29H33NO11.
What is the molecular weight of N,N-Dimethyldoxorubicin?
The molecular weight of N,N-Dimethyldoxorubicin is 571.21 g/mol.
Where can I buy N,N-Dimethyldoxorubicin?
You can request a quote for N,N-Dimethyldoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyldoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyldoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.