AY 9944
TL;DR: AY 9944 (CAS 366-93-8) is a chemical compound with molecular formula C22H30Cl4N2 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
Also Known As: AY 9944 dihydrochloride, Shh Signaling Antagonist IV, AY9944dihydrochloride, trans-1,1'-(Cyclohexane-1,4-diyl)bis(N-(2-chlorobenzyl)methanamine) dihydrochloride, trans-1,4-Bis(2-chlorobenzaminomethyl)cyclohexane dihydrochloride
| Molecular Formula | C22H30Cl4N2 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 6.52 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.11337 |
| Heavy Atoms | 28 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 366-93-8 |
|---|---|
| SMILES | C1CC(CCC1CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl.Cl.Cl |
| InChIKey | NRVIEWRSGDDWHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AY 9944 (CAS 366-93-8), with molecular formula C22H30Cl4N2 and molecular weight 462.12 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride.
Chemical Property Profile of AY 9944
Property Insights of AY 9944
The XLogP value of 6.52 indicates that AY 9944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, AY 9944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AY 9944 has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AY 9944?
The CAS number of AY 9944 is 366-93-8.
What is the molecular formula of AY 9944?
The molecular formula of AY 9944 is C22H30Cl4N2.
What is the molecular weight of AY 9944?
The molecular weight of AY 9944 is 462.12 g/mol.
Where can I buy AY 9944?
You can request a quote for AY 9944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AY 9944?
Yes, KEHONG BIO provides custom synthesis services for AY 9944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.