7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone
TL;DR: 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone (CAS 124264-70-6) is a chemical compound with molecular formula C27H29ClFNO11 and molecular weight 597.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R,10R)-9-acetyl-7-[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,10,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 7-Atftd, 7-O-(3-Amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone, 7-O-(3-Amino-2,3,6-trideoxy-2-fluoro-alpha-L-talopyranosyl)daunomycinone, (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride, (1S,3R,4R)-3-Acetyl-3,4,5,12-tetrahydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-2-fluoro-alpha-L-talopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C27H29ClFNO11 |
|---|---|
| Molecular Weight | 597.14 g/mol |
| LogP | 0.8896 |
| Topological Polar Surface Area | 206.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 597.1413 |
| Heavy Atoms | 41 |
| Complexity | 1451.071 |
Chemical Identifiers
| CAS Number | 124264-70-6 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@]([C@@H](C3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O)(C(=O)C)O)F)N)O.Cl |
Product Overview
7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone (CAS 124264-70-6), with molecular formula C27H29ClFNO11 and molecular weight 597.14 g/mol. IUPAC: (7S,9R,10R)-9-acetyl-7-[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,10,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone
Property Insights of 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone
The XLogP value of 0.8896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone. The TPSA of 206.07 Ų indicates high polarity, suggesting 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone 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 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone?
The CAS number of 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone is 124264-70-6.
What is the molecular formula of 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone?
The molecular formula of 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone is C27H29ClFNO11.
What is the molecular weight of 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone?
The molecular weight of 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone is 597.14 g/mol.
Where can I buy 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone?
You can request a quote for 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone?
Yes, KEHONG BIO provides custom synthesis services for 7-O-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)daunomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.