Emd 66684
TL;DR: Emd 66684 (CAS 18060-35-0) is a chemical compound with molecular formula C29H27N7OS and molecular weight 521.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridin-4-one
Also Known As: Emd 66684, Emd 66 684, 2-Butyl-4,5-dihydro-4-oxo-3-((2'-(1H-tetrazol-5-yl)-4-biphenylyl)methyl)-3H-imidazo(4,5-c)pyridine-5-(N,N-dimethylacetamide), 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridin-4-one, 2-butyl-3-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}-5-(thiophen-2-ylmethyl)-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one
| Molecular Formula | C29H27N7OS |
|---|---|
| Molecular Weight | 521.20 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.19977 |
| Heavy Atoms | 38 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 18060-35-0 |
|---|---|
| SMILES | CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)CC6=CC=CS6 |
| InChIKey | URJBSQINSKCWSD-UHFFFAOYSA-N |
Product Overview
Emd 66684 (CAS 18060-35-0), with molecular formula C29H27N7OS and molecular weight 521.20 g/mol. IUPAC: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridin-4-one.
Chemical Property Profile of Emd 66684
Property Insights of Emd 66684
The XLogP value of 5.4 indicates that Emd 66684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Emd 66684. Following Lipinski's Rule of Five, Emd 66684 has 1 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 Emd 66684?
The CAS number of Emd 66684 is 18060-35-0.
What is the molecular formula of Emd 66684?
The molecular formula of Emd 66684 is C29H27N7OS.
What is the molecular weight of Emd 66684?
The molecular weight of Emd 66684 is 521.20 g/mol.
Where can I buy Emd 66684?
You can request a quote for Emd 66684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emd 66684?
Yes, KEHONG BIO provides custom synthesis services for Emd 66684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.