N-(2-Hydroxyethyl)doxorubicin
TL;DR: N-(2-Hydroxyethyl)doxorubicin (CAS 103851-20-3) is a chemical compound with molecular formula C29H33NO12 and molecular weight 587.20026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: N-(2-Hydroxyethyl)doxorubicin, 6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, BENZOTHIAZOLE-7-CARBOXYLIC ACID METHYL ESTER, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,4-dideoxy-2-[(2-hydroxyethyl)amino]-4-methylpentopyranoside, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((2-hydroxyethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
Technical Specifications
| Molecular Formula | C29H33NO12 |
| Molecular Weight | 587.20026 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 587.20026 Da |
| Heavy Atoms | 42 |
| Complexity | 1030.0 |
| SMILES | CC1COC(C(C1O)NCCO)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O |
| InChIKey | HJGSENVQDBKIJB-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Hydroxyethyl)doxorubicin
Property Insights of N-(2-Hydroxyethyl)doxorubicin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Hydroxyethyl)doxorubicin. The TPSA of 212.0 Ų indicates high polarity, suggesting N-(2-Hydroxyethyl)doxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-Hydroxyethyl)doxorubicin has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(2-Hydroxyethyl)doxorubicin?
The CAS number of N-(2-Hydroxyethyl)doxorubicin is 103851-20-3.
What is the molecular formula of N-(2-Hydroxyethyl)doxorubicin?
The molecular formula of N-(2-Hydroxyethyl)doxorubicin is C29H33NO12.
What is the molecular weight of N-(2-Hydroxyethyl)doxorubicin?
The molecular weight of N-(2-Hydroxyethyl)doxorubicin is 587.20026 g/mol.
Where can I buy N-(2-Hydroxyethyl)doxorubicin?
You can request a quote for N-(2-Hydroxyethyl)doxorubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Hydroxyethyl)doxorubicin?
Yes, CoreyChem provides custom synthesis services for N-(2-Hydroxyethyl)doxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.