14-Brom-7-deoxydaunomycinon
TL;DR: 14-Brom-7-deoxydaunomycinon (CAS 63626-06-2) is a chemical compound with molecular formula C21H17BrO7 and molecular weight 460.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Brom-7-deoxydaunomycinon, Bromo Didehydro Doxorubicinone, 9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 8-(2-bromoacetyl)-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione, 8-(Bromoacetyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
| Molecular Formula | C21H17BrO7 |
|---|---|
| Molecular Weight | 460.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.01578 |
| Heavy Atoms | 29 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 63626-06-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4)(C(=O)CBr)O)C(=C3C2=O)O)O |
| InChIKey | JPMVHEYIIWDGRN-UHFFFAOYSA-N |
Product Overview
14-Brom-7-deoxydaunomycinon (CAS 63626-06-2), with molecular formula C21H17BrO7 and molecular weight 460.02 g/mol. IUPAC: 9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 14-Brom-7-deoxydaunomycinon
Property Insights of 14-Brom-7-deoxydaunomycinon
The XLogP value of 3.6 indicates that 14-Brom-7-deoxydaunomycinon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Brom-7-deoxydaunomycinon. Following Lipinski's Rule of Five, 14-Brom-7-deoxydaunomycinon has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Brom-7-deoxydaunomycinon?
The CAS number of 14-Brom-7-deoxydaunomycinon is 63626-06-2.
What is the molecular formula of 14-Brom-7-deoxydaunomycinon?
The molecular formula of 14-Brom-7-deoxydaunomycinon is C21H17BrO7.
What is the molecular weight of 14-Brom-7-deoxydaunomycinon?
The molecular weight of 14-Brom-7-deoxydaunomycinon is 460.02 g/mol.
Where can I buy 14-Brom-7-deoxydaunomycinon?
You can request a quote for 14-Brom-7-deoxydaunomycinon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Brom-7-deoxydaunomycinon?
Yes, KEHONG BIO provides custom synthesis services for 14-Brom-7-deoxydaunomycinon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.