ICI-D6888 free base
TL;DR: ICI-D6888 free base (CAS 138620-04-9) is a chemical compound with molecular formula C25H25N5O and molecular weight 411.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline
Also Known As: ICI-D6888 free base, ICI-D-6888 free base, 2-Ethyl-4-(2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethoxy)-5,6,7,8-tetrahydroquinoline, Quinoline, 2-ethyl-5,6,7,8-tetrahydro-4-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methoxy)-, 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline
| Molecular Formula | C25H25N5O |
|---|---|
| Molecular Weight | 411.21 g/mol |
| LogP | 4.9489 |
| Topological Polar Surface Area | 76.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.2059 |
| Heavy Atoms | 31 |
| Complexity | 1169.2539 |
Chemical Identifiers
| CAS Number | 138620-04-9 |
|---|---|
| SMILES | CCC1=CC(=C2CCCCC2=N1)OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 |
Product Overview
ICI-D6888 free base (CAS 138620-04-9), with molecular formula C25H25N5O and molecular weight 411.21 g/mol. IUPAC: 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline.
Chemical Property Profile of ICI-D6888 free base
Property Insights of ICI-D6888 free base
The XLogP value of 4.9489 indicates that ICI-D6888 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ICI-D6888 free base. Following Lipinski's Rule of Five, ICI-D6888 free base has 1 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 ICI-D6888 free base?
The CAS number of ICI-D6888 free base is 138620-04-9.
What is the molecular formula of ICI-D6888 free base?
The molecular formula of ICI-D6888 free base is C25H25N5O.
What is the molecular weight of ICI-D6888 free base?
The molecular weight of ICI-D6888 free base is 411.21 g/mol.
Where can I buy ICI-D6888 free base?
You can request a quote for ICI-D6888 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICI-D6888 free base?
Yes, KEHONG BIO provides custom synthesis services for ICI-D6888 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.