4'-O-Methyldaunorubicin hydrochloride
TL;DR: 4'-O-Methyldaunorubicin hydrochloride (CAS 68102-49-8) is a chemical compound with molecular formula C28H32ClNO10 and molecular weight 577.17 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-amino-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 4'-O-Methyldaunorubicin hydrochloride, 5,12-Naphthacenedione, 8-acetyl-10-(3-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-lyxo-(hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-, 8-Acetyl-10-(3-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-lyxo-(hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-, (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-lyxo-hexopyranoside--hydrogen chloride (1/1), (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C28H32ClNO10 |
|---|---|
| Molecular Weight | 577.17 g/mol |
| LogP | 2.1048 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.17145 |
| Heavy Atoms | 40 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 68102-49-8 |
|---|---|
| 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)OC.Cl |
| InChIKey | IYBCOWOMVFBROO-RNZVEHOHSA-N |
Product Overview
4'-O-Methyldaunorubicin hydrochloride (CAS 68102-49-8), with molecular formula C28H32ClNO10 and molecular weight 577.17 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 4'-O-Methyldaunorubicin hydrochloride
Property Insights of 4'-O-Methyldaunorubicin hydrochloride
The XLogP value of 2.1048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-O-Methyldaunorubicin hydrochloride. The TPSA of 175.0 Ų indicates high polarity, suggesting 4'-O-Methyldaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-O-Methyldaunorubicin hydrochloride has 5 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 4'-O-Methyldaunorubicin hydrochloride?
The CAS number of 4'-O-Methyldaunorubicin hydrochloride is 68102-49-8.
What is the molecular formula of 4'-O-Methyldaunorubicin hydrochloride?
The molecular formula of 4'-O-Methyldaunorubicin hydrochloride is C28H32ClNO10.
What is the molecular weight of 4'-O-Methyldaunorubicin hydrochloride?
The molecular weight of 4'-O-Methyldaunorubicin hydrochloride is 577.17 g/mol.
Where can I buy 4'-O-Methyldaunorubicin hydrochloride?
You can request a quote for 4'-O-Methyldaunorubicin 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-Methyldaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-Methyldaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.