7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone
TL;DR: 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone (CAS 119288-23-2) 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,9S)-7-[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 7-Atfta, 7(O)-(3-Amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone, 7(O)-(3-Amino-2,3,6-trideoxy-2-fluoro-alpha-L-talopyranosyl)adriamycinone, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, tert-butyl (3RS)-3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
| Molecular Formula | C27H29ClFNO11 |
|---|---|
| Molecular Weight | 597.14 g/mol |
| LogP | 0.3711 |
| Topological Polar Surface Area | 206.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 597.1413 |
| Heavy Atoms | 41 |
| Complexity | 1434.7028 |
Chemical Identifiers
| CAS Number | 119288-23-2 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([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)CO)O)F)N)O.Cl |
Product Overview
7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone (CAS 119288-23-2), with molecular formula C27H29ClFNO11 and molecular weight 597.14 g/mol. IUPAC: (7S,9S)-7-[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-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)adriamycinone
Property Insights of 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone
The XLogP value of 0.3711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone. The TPSA of 206.07 Ų indicates high polarity, suggesting 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone 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)adriamycinone 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)adriamycinone?
The CAS number of 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone is 119288-23-2.
What is the molecular formula of 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone?
The molecular formula of 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone is C27H29ClFNO11.
What is the molecular weight of 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone?
The molecular weight of 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone is 597.14 g/mol.
Where can I buy 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone?
You can request a quote for 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone 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)adriamycinone?
Yes, KEHONG BIO provides custom synthesis services for 7(O)-(3-amino-2,3,6-trideoxy-2-fluorotalopyranosyl)adriamycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.