4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid
TL;DR: 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid (CAS 329209-27-0) is a chemical compound with molecular formula C12H10ClNO4 and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-amino-5-chloro-1-benzofuran-2-yl)-4-oxobutanoic acid
Also Known As: ChemDiv1_002681, 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid, 4-(3-Amino-5-chlorobenzofuran-2-yl)-4-oxobutanoic acid, BAS 01507270, 4-(3-Amino-5-chloro-1-benzofuran-2-yl)-4-oxobutanoic acid
| Molecular Formula | C12H10ClNO4 |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.02985 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 329209-27-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=C(O2)C(=O)CCC(=O)O)N |
| InChIKey | OYWVJYAUHLAGJC-UHFFFAOYSA-N |
Product Overview
4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid (CAS 329209-27-0), with molecular formula C12H10ClNO4 and molecular weight 267.03 g/mol. IUPAC: 4-(3-amino-5-chloro-1-benzofuran-2-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid
Property Insights of 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid. Following Lipinski's Rule of Five, 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric 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 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid?
The CAS number of 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid is 329209-27-0.
What is the molecular formula of 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid?
The molecular formula of 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid is C12H10ClNO4.
What is the molecular weight of 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid?
The molecular weight of 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid is 267.03 g/mol.
Where can I buy 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid?
You can request a quote for 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Amino-5-chloro-benzofuran-2-yl)-4-oxo-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.