AO-080/43441598
TL;DR: AO-080/43441598 (CAS 893774-92-0) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AO-080/43441598, N-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, A4116/0175476, N-[4-(pyrrolidin-1-ylcarbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-[4-(1-pyrrolidinylcarbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 4.1152 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 788.5275 |
Chemical Identifiers
| CAS Number | 893774-92-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4 |
Product Overview
AO-080/43441598 (CAS 893774-92-0), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: N-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AO-080/43441598
Property Insights of AO-080/43441598
The XLogP value of 4.1152 indicates that AO-080/43441598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AO-080/43441598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-080/43441598 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-080/43441598?
The CAS number of AO-080/43441598 is 893774-92-0.
What is the molecular formula of AO-080/43441598?
The molecular formula of AO-080/43441598 is C20H22N2O2S.
What is the molecular weight of AO-080/43441598?
The molecular weight of AO-080/43441598 is 354.14 g/mol.
Where can I buy AO-080/43441598?
You can request a quote for AO-080/43441598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/43441598?
Yes, KEHONG BIO provides custom synthesis services for AO-080/43441598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.