2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate
TL;DR: 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate (CAS 861412-82-0) is a chemical compound with molecular formula C14H10ClNO5 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 2-chloro-5-(5-formylfuran-2-yl)benzoate
Also Known As: 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate, Carbamoylmethyl 2-chloro-5-(5-formyl-2-furyl)benzoate, (2-amino-2-oxoethyl) 2-chloro-5-(5-formylfuran-2-yl)benzoate, 2-Amino-2-oxoethyl 2-chloro-5-(5-formylfuran-2-yl)benzoate
| Molecular Formula | C14H10ClNO5 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 2.0546 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.02475 |
| Heavy Atoms | 21 |
| Complexity | 707.13995 |
Chemical Identifiers
| CAS Number | 861412-82-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC=C(O2)C=O)C(=O)OCC(=O)N)Cl |
Product Overview
2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate (CAS 861412-82-0), with molecular formula C14H10ClNO5 and molecular weight 307.02 g/mol. IUPAC: (2-amino-2-oxoethyl) 2-chloro-5-(5-formylfuran-2-yl)benzoate.
Chemical Property Profile of 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate
Property Insights of 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate
The XLogP value of 2.0546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate. Following Lipinski's Rule of Five, 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate has 1 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-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate?
The CAS number of 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate is 861412-82-0.
What is the molecular formula of 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate?
The molecular formula of 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate is C14H10ClNO5.
What is the molecular weight of 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate?
The molecular weight of 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate is 307.02 g/mol.
Where can I buy 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate?
You can request a quote for 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2-oxoethyl 2-chloro-5-(5-formyl-2-furanyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.