14-Bromodaunorubicin
TL;DR: 14-Bromodaunorubicin (CAS 65026-79-1) is a chemical compound with molecular formula C27H28BrNO10 and molecular weight 605.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Bromodaunorubicin, 14-Bromodaunomycin, Doxorubicin EP Impurity C, Doxorubicin Hydrochloride EP Impurity C, J1.778.354H
| Molecular Formula | C27H28BrNO10 |
|---|---|
| Molecular Weight | 605.09 g/mol |
| LogP | 1.4039 |
| Topological Polar Surface Area | 185.84 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 605.08966 |
| Heavy Atoms | 39 |
| Complexity | 1381.3531 |
Chemical Identifiers
| CAS Number | 65026-79-1 |
|---|---|
| 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)CBr)O)N)O |
Product Overview
14-Bromodaunorubicin (CAS 65026-79-1), with molecular formula C27H28BrNO10 and molecular weight 605.09 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 14-Bromodaunorubicin
Property Insights of 14-Bromodaunorubicin
The XLogP value of 1.4039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Bromodaunorubicin. The TPSA of 185.84 Ų indicates high polarity, suggesting 14-Bromodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Bromodaunorubicin 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 14-Bromodaunorubicin?
The CAS number of 14-Bromodaunorubicin is 65026-79-1.
What is the molecular formula of 14-Bromodaunorubicin?
The molecular formula of 14-Bromodaunorubicin is C27H28BrNO10.
What is the molecular weight of 14-Bromodaunorubicin?
The molecular weight of 14-Bromodaunorubicin is 605.09 g/mol.
Where can I buy 14-Bromodaunorubicin?
You can request a quote for 14-Bromodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Bromodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 14-Bromodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.