KAA-276 HCl
TL;DR: KAA-276 HCl (CAS 167264-26-8) is a chemical compound with molecular formula C31H37FN4O6S and molecular weight 612.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,5-diazocan-1-yl]ethyl]phenyl]propanoic acid;sulfuric acid
Also Known As: KAA-276 HCl, Benzenepropanoic acid, 4-(2-(5-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)hexahydro-1,5-diazocin-1(2H)-yl)ethyl)-, sulfate (1:1), RefChem:201361
| Molecular Formula | C31H37FN4O6S |
|---|---|
| Molecular Weight | 612.24 g/mol |
| LogP | 4.733 |
| Topological Polar Surface Area | 136.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 612.24176 |
| Heavy Atoms | 43 |
| Complexity | 1575.0823 |
Chemical Identifiers
| CAS Number | 167264-26-8 |
|---|---|
| SMILES | C1CN(CCCN(C1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=C(C=C5)CCC(=O)O.OS(=O)(=O)O |
Product Overview
KAA-276 HCl (CAS 167264-26-8), with molecular formula C31H37FN4O6S and molecular weight 612.24 g/mol. IUPAC: 3-[4-[2-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,5-diazocan-1-yl]ethyl]phenyl]propanoic acid;sulfuric acid.
Chemical Property Profile of KAA-276 HCl
Property Insights of KAA-276 HCl
The XLogP value of 4.733 indicates that KAA-276 HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.2 Ų falls within the moderate polarity range, balancing permeability and solubility for KAA-276 HCl. Following Lipinski's Rule of Five, KAA-276 HCl has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KAA-276 HCl?
The CAS number of KAA-276 HCl is 167264-26-8.
What is the molecular formula of KAA-276 HCl?
The molecular formula of KAA-276 HCl is C31H37FN4O6S.
What is the molecular weight of KAA-276 HCl?
The molecular weight of KAA-276 HCl is 612.24 g/mol.
Where can I buy KAA-276 HCl?
You can request a quote for KAA-276 HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KAA-276 HCl?
Yes, KEHONG BIO provides custom synthesis services for KAA-276 HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.