F1361-0057
TL;DR: F1361-0057 (CAS 1024591-56-7) is a chemical compound with molecular formula C21H21BrO7 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[[2-(3-bromophenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]phenyl]ethanone
Also Known As: F1361-0057, 1-(4-(((2S,4aR,6S,7R,8R,8aS)-2-(3-bromophenyl)-7,8-dihydroxyhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)phenyl)ethanone, 1-(4-{[2-(3-bromophenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}phenyl)ethan-1-one, 1-[4-[[2-(3-bromophenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]phenyl]ethanone, 1-[4-[[9-(3-bromophenyl)-2,3-dihydroxy-5,8,10-trioxabicyclo[4.4.0]dec-4-yl]oxy]phenyl]ethanone
| Molecular Formula | C21H21BrO7 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 2.5914 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.04706 |
| Heavy Atoms | 29 |
| Complexity | 869.58826 |
Chemical Identifiers
| CAS Number | 1024591-56-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC2C(C(C3C(O2)COC(O3)C4=CC(=CC=C4)Br)O)O |
Product Overview
F1361-0057 (CAS 1024591-56-7), with molecular formula C21H21BrO7 and molecular weight 464.05 g/mol. IUPAC: 1-[4-[[2-(3-bromophenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]phenyl]ethanone.
Chemical Property Profile of F1361-0057
Property Insights of F1361-0057
The XLogP value of 2.5914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1361-0057. The TPSA of 94.45 Ų falls within the moderate polarity range, balancing permeability and solubility for F1361-0057. Following Lipinski's Rule of Five, F1361-0057 has 2 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 F1361-0057?
The CAS number of F1361-0057 is 1024591-56-7.
What is the molecular formula of F1361-0057?
The molecular formula of F1361-0057 is C21H21BrO7.
What is the molecular weight of F1361-0057?
The molecular weight of F1361-0057 is 464.05 g/mol.
Where can I buy F1361-0057?
You can request a quote for F1361-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1361-0057?
Yes, KEHONG BIO provides custom synthesis services for F1361-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.