KAA-276 free base
TL;DR: KAA-276 free base (CAS 167264-16-6) is a chemical compound with molecular formula C31H35FN4O2 and molecular weight 514.27 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
Also Known As: KAA-276 free base, Benzenepropanoic acid, 4-(2-(5-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)hexahydro-1,5-diazocin-1(2H)-yl)ethyl)-, 3-[4-[2-[5-[1-(4-Fluorobenzyl)-1H-benzimidazol-2-yl]-1,5-diazacyclooctan-1-yl]ethyl]phenyl]propionic acid, 3-{4-[2-(5-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,5-diazocan-1-yl)ethyl]phenyl}propanoic acid, 5- [2- [4- (2-carboxyethyl)phenyl]ethyl]-1-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-yl]-1,5-diazacyclooctane
| Molecular Formula | C31H35FN4O2 |
|---|---|
| Molecular Weight | 514.27 g/mol |
| LogP | 5.3858 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.2744 |
| Heavy Atoms | 38 |
| Complexity | 1340.8296 |
Chemical Identifiers
| CAS Number | 167264-16-6 |
|---|---|
| SMILES | C1CN(CCCN(C1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=C(C=C5)CCC(=O)O |
Product Overview
KAA-276 free base (CAS 167264-16-6), with molecular formula C31H35FN4O2 and molecular weight 514.27 g/mol. IUPAC: 3-[4-[2-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,5-diazocan-1-yl]ethyl]phenyl]propanoic acid.
Chemical Property Profile of KAA-276 free base
Property Insights of KAA-276 free base
The XLogP value of 5.3858 indicates that KAA-276 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for KAA-276 free base. Following Lipinski's Rule of Five, KAA-276 free base has 1 hydrogen bond donor(s) and 4 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 free base?
The CAS number of KAA-276 free base is 167264-16-6.
What is the molecular formula of KAA-276 free base?
The molecular formula of KAA-276 free base is C31H35FN4O2.
What is the molecular weight of KAA-276 free base?
The molecular weight of KAA-276 free base is 514.27 g/mol.
Where can I buy KAA-276 free base?
You can request a quote for KAA-276 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KAA-276 free base?
Yes, KEHONG BIO provides custom synthesis services for KAA-276 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.