KST-1A8249
TL;DR: KST-1A8249 (CAS 78919-26-3) is a chemical compound with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Also Known As: KST-1A8249, (8, A,9r)-6'-methoxycinchonan-9-ol benzoate(1:1), benzoic acid; (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
| Molecular Formula | C27H30N2O4 |
|---|---|
| Molecular Weight | 446.22 g/mol |
| LogP | 4.558 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.22055 |
| Heavy Atoms | 33 |
| Complexity | 1117.5642 |
Chemical Identifiers
| CAS Number | 78919-26-3 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.C1=CC=C(C=C1)C(=O)O |
Product Overview
KST-1A8249 (CAS 78919-26-3), with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol. IUPAC: benzoic acid;(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol.
Chemical Property Profile of KST-1A8249
Property Insights of KST-1A8249
The XLogP value of 4.558 indicates that KST-1A8249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.89 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A8249. Following Lipinski's Rule of Five, KST-1A8249 has 2 hydrogen bond donor(s) and 5 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 KST-1A8249?
The CAS number of KST-1A8249 is 78919-26-3.
What is the molecular formula of KST-1A8249?
The molecular formula of KST-1A8249 is C27H30N2O4.
What is the molecular weight of KST-1A8249?
The molecular weight of KST-1A8249 is 446.22 g/mol.
Where can I buy KST-1A8249?
You can request a quote for KST-1A8249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A8249?
Yes, KEHONG BIO provides custom synthesis services for KST-1A8249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.