AO-476/14513005
TL;DR: AO-476/14513005 (CAS 174968-93-5) is a chemical compound with molecular formula C20H23ClN2S and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(4-chlorophenyl)-3-N-cyclohexyl-4,5,6,7-tetrahydro-2-benzothiophene-1,3-diimine
Also Known As: AO-476/14513005, N-(4-chlorophenyl)-N-(3-(cyclohexylimino)-4,5,6,7-tetrahydro-2-benzothien-1(3H)-ylidene)amine, 1-N-(4-chlorophenyl)-3-N-cyclohexyl-4,5,6,7-tetrahydro-2-benzothiophene-1,3-diimine, N-(4-Chlorophenyl)-N -cyclohexyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1,3-diimine, N-(4-Chlorophenyl)-N'-cyclohexyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1,3-diimine
| Molecular Formula | C20H23ClN2S |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 6.7186 |
| Topological Polar Surface Area | 24.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.12704 |
| Heavy Atoms | 24 |
| Complexity | 696.85394 |
Chemical Identifiers
| CAS Number | 174968-93-5 |
|---|---|
| SMILES | C1CCC(CC1)N=C2C3=C(CCCC3)C(=NC4=CC=C(C=C4)Cl)S2 |
Product Overview
AO-476/14513005 (CAS 174968-93-5), with molecular formula C20H23ClN2S and molecular weight 358.13 g/mol. IUPAC: 1-N-(4-chlorophenyl)-3-N-cyclohexyl-4,5,6,7-tetrahydro-2-benzothiophene-1,3-diimine.
Chemical Property Profile of AO-476/14513005
Property Insights of AO-476/14513005
The XLogP value of 6.7186 indicates that AO-476/14513005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.72 Ų, AO-476/14513005 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-476/14513005 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-476/14513005?
The CAS number of AO-476/14513005 is 174968-93-5.
What is the molecular formula of AO-476/14513005?
The molecular formula of AO-476/14513005 is C20H23ClN2S.
What is the molecular weight of AO-476/14513005?
The molecular weight of AO-476/14513005 is 358.13 g/mol.
Where can I buy AO-476/14513005?
You can request a quote for AO-476/14513005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-476/14513005?
Yes, KEHONG BIO provides custom synthesis services for AO-476/14513005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.