F0729-0088
TL;DR: F0729-0088 (CAS 852691-24-8) is a chemical compound with molecular formula C24H20BrN5O and molecular weight 473.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridin-6-yl]-2-cyanoethenylidene]azanide
Also Known As: F0729-0088, (4'-(4-bromophenyl)-5'-cyano-2'-cyclopropyl-2'-hydroxy-4-methyl-1',2',3',4'-tetrahydro-[1,3'-bipyridin]-1-ium-6'-yl)dicyanomethanide, [2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridin-6-yl]-2-cyanoethenylidene]azanide, [4'-(4-bromophenyl)-5'-cyano-2'-cyclopropyl-2'-hydroxy-4-methyl-1',2',3',4'-tetrahydro-1lambda5-[1,3'-bipyridin]-1-ylium-6'-yl]dicyanomethanide
| Molecular Formula | C24H20BrN5O |
|---|---|
| Molecular Weight | 473.09 g/mol |
| LogP | 3.53848 |
| Topological Polar Surface Area | 106.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.0851 |
| Heavy Atoms | 31 |
| Complexity | 1178.4608 |
Chemical Identifiers
| CAS Number | 852691-24-8 |
|---|---|
| SMILES | CC1=CC=[N+](C=C1)C2C(C(=C(NC2(C3CC3)O)C(=C=[N-])C#N)C#N)C4=CC=C(C=C4)Br |
Product Overview
F0729-0088 (CAS 852691-24-8), with molecular formula C24H20BrN5O and molecular weight 473.09 g/mol. IUPAC: [2-[4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridin-6-yl]-2-cyanoethenylidene]azanide.
Chemical Property Profile of F0729-0088
Property Insights of F0729-0088
The XLogP value of 3.53848 indicates that F0729-0088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F0729-0088. Following Lipinski's Rule of Five, F0729-0088 has 2 hydrogen bond donor(s) and 4 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 F0729-0088?
The CAS number of F0729-0088 is 852691-24-8.
What is the molecular formula of F0729-0088?
The molecular formula of F0729-0088 is C24H20BrN5O.
What is the molecular weight of F0729-0088?
The molecular weight of F0729-0088 is 473.09 g/mol.
Where can I buy F0729-0088?
You can request a quote for F0729-0088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0729-0088?
Yes, KEHONG BIO provides custom synthesis services for F0729-0088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.