Exp 985
TL;DR: Exp 985 (CAS 145644-13-9) is a chemical compound with molecular formula C29H27ClIN7O2 and molecular weight 667.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
Also Known As: Exp 985, [125I]EXP985, N-(2-(4-Hydroxy-3-iodophenyl)ethyl)-4-chloro-2-propyl-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)imidazole-5-carboxamide, 1H-Imidazole-5-carboxamide,4-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 5-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
| Molecular Formula | C29H27ClIN7O2 |
|---|---|
| Molecular Weight | 667.10 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 667.09595 |
| Heavy Atoms | 40 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 145644-13-9 |
|---|---|
| SMILES | CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)NCCC5=CC(=C(C=C5)O)I)Cl |
| InChIKey | WMCDNTWPKXBICS-UHFFFAOYSA-N |
Product Overview
Exp 985 (CAS 145644-13-9), with molecular formula C29H27ClIN7O2 and molecular weight 667.10 g/mol. IUPAC: 5-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide.
Chemical Property Profile of Exp 985
Property Insights of Exp 985
The XLogP value of 6.5 indicates that Exp 985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Exp 985. Following Lipinski's Rule of Five, Exp 985 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 Exp 985?
The CAS number of Exp 985 is 145644-13-9.
What is the molecular formula of Exp 985?
The molecular formula of Exp 985 is C29H27ClIN7O2.
What is the molecular weight of Exp 985?
The molecular weight of Exp 985 is 667.10 g/mol.
Where can I buy Exp 985?
You can request a quote for Exp 985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exp 985?
Yes, KEHONG BIO provides custom synthesis services for Exp 985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.