3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride
TL;DR: 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride (CAS 119943-52-1) is a chemical compound with molecular formula C31H37ClN2O10 and molecular weight 632.2137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[3-hydroxy-2-methyl-6-[(3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-propanoyl-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-4-yl]-N,N-dimethylmethanimidamide;hydrochloride
Also Known As: 3'-Desamino-3'-dimethylformamidinedoxorubicin HCl, 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(((dimethylamino)methylene)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trideoxy-, (8S-cis)-, monohydrochloride, N'-[3-hydroxy-2-methyl-6-[(3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-propanoyl-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-4-yl]-N,N-dimethylmethanimidamide hydrochloride
Technical Specifications
| Molecular Formula | C31H37ClN2O10 |
| Molecular Weight | 632.2137 g/mol |
| XLogP | 2.472 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 632.2137 Da |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
| SMILES | CCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N=CN(C)C)O.Cl |
| InChIKey | FEVQWRLFMQBRKJ-UHFFFAOYSA-N |
Chemical Property Profile of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride
Property Insights of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride
The XLogP value of 2.472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride. The TPSA of 175.0 Ų indicates high polarity, suggesting 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride?
The CAS number of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride is 119943-52-1.
What is the molecular formula of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride?
The molecular formula of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride is C31H37ClN2O10.
What is the molecular weight of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride?
The molecular weight of 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride is 632.2137 g/mol.
Where can I buy 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride?
You can request a quote for 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3'-Desamino-3'-dimethylformamidinedoxorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.