4'-O-Methyldoxorubicin hydrochloride
TL;DR: 4'-O-Methyldoxorubicin hydrochloride (CAS 68102-51-2) is a chemical compound with molecular formula C28H32ClNO11 and molecular weight 593.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 4'-O-Methyldoxorubicin hydrochloride, 10-((3-Amino-2,3,6-trideoxy-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-methylhexopyranoside--hydrogen chloride (1/1), 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, 7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C28H32ClNO11 |
|---|---|
| Molecular Weight | 593.17 g/mol |
| LogP | 1.0772 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 593.1664 |
| Heavy Atoms | 41 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 68102-51-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC.Cl |
| InChIKey | CFNNQMITBJHXJU-UHFFFAOYSA-N |
Product Overview
4'-O-Methyldoxorubicin hydrochloride (CAS 68102-51-2), with molecular formula C28H32ClNO11 and molecular weight 593.17 g/mol. IUPAC: 7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 4'-O-Methyldoxorubicin hydrochloride
Property Insights of 4'-O-Methyldoxorubicin hydrochloride
The XLogP value of 1.0772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-O-Methyldoxorubicin hydrochloride. The TPSA of 195.0 Ų indicates high polarity, suggesting 4'-O-Methyldoxorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-O-Methyldoxorubicin hydrochloride has 6 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 4'-O-Methyldoxorubicin hydrochloride?
The CAS number of 4'-O-Methyldoxorubicin hydrochloride is 68102-51-2.
What is the molecular formula of 4'-O-Methyldoxorubicin hydrochloride?
The molecular formula of 4'-O-Methyldoxorubicin hydrochloride is C28H32ClNO11.
What is the molecular weight of 4'-O-Methyldoxorubicin hydrochloride?
The molecular weight of 4'-O-Methyldoxorubicin hydrochloride is 593.17 g/mol.
Where can I buy 4'-O-Methyldoxorubicin hydrochloride?
You can request a quote for 4'-O-Methyldoxorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-O-Methyldoxorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-Methyldoxorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.