14-Methoxydaunorubicin hydrochloride
TL;DR: 14-Methoxydaunorubicin hydrochloride (CAS 66678-33-9) is a chemical compound with molecular formula C28H31NO11 and molecular weight 557.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-methoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Methoxydaunorubicin hydrochloride, 3,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(methoxyacetyl)-, hydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(methoxyacetyl)-, hydrochloride (1:1), (8S,10S)-, 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-methoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C28H31NO11 |
|---|---|
| Molecular Weight | 557.19 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.1897 |
| Heavy Atoms | 40 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 66678-33-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC)O)N)O |
| InChIKey | KHXUHAHJGPAIOL-UHFFFAOYSA-N |
Product Overview
14-Methoxydaunorubicin hydrochloride (CAS 66678-33-9), with molecular formula C28H31NO11 and molecular weight 557.19 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-methoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 14-Methoxydaunorubicin hydrochloride
Property Insights of 14-Methoxydaunorubicin hydrochloride
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Methoxydaunorubicin hydrochloride. The TPSA of 195.0 Ų indicates high polarity, suggesting 14-Methoxydaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Methoxydaunorubicin hydrochloride 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 14-Methoxydaunorubicin hydrochloride?
The CAS number of 14-Methoxydaunorubicin hydrochloride is 66678-33-9.
What is the molecular formula of 14-Methoxydaunorubicin hydrochloride?
The molecular formula of 14-Methoxydaunorubicin hydrochloride is C28H31NO11.
What is the molecular weight of 14-Methoxydaunorubicin hydrochloride?
The molecular weight of 14-Methoxydaunorubicin hydrochloride is 557.19 g/mol.
Where can I buy 14-Methoxydaunorubicin hydrochloride?
You can request a quote for 14-Methoxydaunorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Methoxydaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 14-Methoxydaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.