BU-E 76
TL;DR: BU-E 76 (CAS 114667-79-7) is a chemical compound with molecular formula C21H24F2N6 and molecular weight 398.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
Also Known As: BU-E-76, BU-E 76, 1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine, N(1)-(3-(3,5-Difluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidine, 1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imi
| Molecular Formula | C21H24F2N6 |
|---|---|
| Molecular Weight | 398.20 g/mol |
| LogP | 3.142 |
| Topological Polar Surface Area | 91.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.20306 |
| Heavy Atoms | 29 |
| Complexity | 891.9355 |
Chemical Identifiers
| CAS Number | 114667-79-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(CCNC(=NCCCC2=CN=CN2)N)C3=CC(=CC(=C3)F)F |
Product Overview
BU-E 76 (CAS 114667-79-7), with molecular formula C21H24F2N6 and molecular weight 398.20 g/mol. IUPAC: 1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.
Chemical Property Profile of BU-E 76
Property Insights of BU-E 76
The XLogP value of 3.142 indicates that BU-E 76 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BU-E 76. Following Lipinski's Rule of Five, BU-E 76 has 3 hydrogen bond donor(s) and 3 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 BU-E 76?
The CAS number of BU-E 76 is 114667-79-7.
What is the molecular formula of BU-E 76?
The molecular formula of BU-E 76 is C21H24F2N6.
What is the molecular weight of BU-E 76?
The molecular weight of BU-E 76 is 398.20 g/mol.
Where can I buy BU-E 76?
You can request a quote for BU-E 76 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BU-E 76?
Yes, KEHONG BIO provides custom synthesis services for BU-E 76 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.