AO-095/12206002
TL;DR: AO-095/12206002 (CAS 111423-07-5) is a chemical compound with molecular formula C18H19ClN2O2S2 and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AO-095/12206002, ethyl 2-[(4-chlorophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, N-(4-chlorophenyl)-N'-[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]carbamimidothioic acid, 3-ethoxycarbonyl-2-[3-(4-chlorophenyl)thioureido]-4,5,6,7-tetrahydrobenzo[b]thiophene, N1-(3-carbethoxy-4,5,6,7-tetrahydrobenzothien-2-yl)-N2-p-chlorophenylthiourea
| Molecular Formula | C18H19ClN2O2S2 |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 5.2659 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.05765 |
| Heavy Atoms | 25 |
| Complexity | 787.1189 |
Chemical Identifiers
| CAS Number | 111423-07-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)Cl |
Product Overview
AO-095/12206002 (CAS 111423-07-5), with molecular formula C18H19ClN2O2S2 and molecular weight 394.06 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AO-095/12206002
Property Insights of AO-095/12206002
The XLogP value of 5.2659 indicates that AO-095/12206002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, AO-095/12206002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-095/12206002 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-095/12206002?
The CAS number of AO-095/12206002 is 111423-07-5.
What is the molecular formula of AO-095/12206002?
The molecular formula of AO-095/12206002 is C18H19ClN2O2S2.
What is the molecular weight of AO-095/12206002?
The molecular weight of AO-095/12206002 is 394.06 g/mol.
Where can I buy AO-095/12206002?
You can request a quote for AO-095/12206002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-095/12206002?
Yes, KEHONG BIO provides custom synthesis services for AO-095/12206002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.