![2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid structure](/static/products/116/1164546-92-2.png)
2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid
TL;DR: 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid (CAS 1164546-92-2) is a chemical compound with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[5-[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid
Also Known As: 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid, 2-chloro-4-[5-[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid, (Z)-2-chloro-4-(5-(2-cyano-3-oxo-3-(((tetrahydrofuran-2-yl)methyl)amino)prop-1-en-1-yl)furan-2-yl)benzoic acid, 2-chloranyl-4-[5-[(Z)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid, 2-chloro-4-[5-[(Z)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-furyl]benzoic acid
| Molecular Formula | C20H17ClN2O5 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 3.50038 |
| Topological Polar Surface Area | 112.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.0826 |
| Heavy Atoms | 28 |
| Complexity | 967.21594 |
Chemical Identifiers
| CAS Number | 1164546-92-2 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/C#N |
Product Overview
2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid (CAS 1164546-92-2), with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol. IUPAC: 2-chloro-4-[5-[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid
Property Insights of 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid
The XLogP value of 3.50038 indicates that 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid has 2 hydrogen bond donor(s) and 5 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 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid?
The CAS number of 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid is 1164546-92-2.
What is the molecular formula of 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid?
The molecular formula of 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid is C20H17ClN2O5.
What is the molecular weight of 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid?
The molecular weight of 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid is 400.08 g/mol.
Where can I buy 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid?
You can request a quote for 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(5-{(Z)-2-cyano-2-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-furan-2-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.