Agn 190727
TL;DR: Agn 190727 (CAS 115503-91-8) is a chemical compound with molecular formula C20H22O2 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid
Also Known As: Agn 190727, 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid, (E)-3-(4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)benzoic acid, Benzoic acid, 3-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, (E)-, 3-(4-(2',6',6'-trimethylcyclohex-1-enyl)but-1-yne-3-enyl)benzoic acid
| Molecular Formula | C20H22O2 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 4.8191 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.162 |
| Heavy Atoms | 22 |
| Complexity | 693.9077 |
Chemical Identifiers
| CAS Number | 115503-91-8 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC(=CC=C2)C(=O)O |
Product Overview
Agn 190727 (CAS 115503-91-8), with molecular formula C20H22O2 and molecular weight 294.16 g/mol. IUPAC: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid.
Chemical Property Profile of Agn 190727
Property Insights of Agn 190727
The XLogP value of 4.8191 indicates that Agn 190727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Agn 190727 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Agn 190727 has 1 hydrogen bond donor(s) and 1 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 Agn 190727?
The CAS number of Agn 190727 is 115503-91-8.
What is the molecular formula of Agn 190727?
The molecular formula of Agn 190727 is C20H22O2.
What is the molecular weight of Agn 190727?
The molecular weight of Agn 190727 is 294.16 g/mol.
Where can I buy Agn 190727?
You can request a quote for Agn 190727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agn 190727?
Yes, KEHONG BIO provides custom synthesis services for Agn 190727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.