BAS 02098822
TL;DR: BAS 02098822 (CAS 114829-23-1) is a chemical compound with molecular formula C16H20ClNO4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-chloro-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: BAS 02098822, 3-Benzofurancarboxylic acid, 4-chloro-5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 4-chloro-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, 4-Chloro-5-hydroxy-2-methyl-3-benzofurancarboxylic acid 2-(diethylamino)ethyl ester, AH-262/31840047
| Molecular Formula | C16H20ClNO4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 3.59882 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.1081 |
| Heavy Atoms | 22 |
| Complexity | 676.3259 |
Chemical Identifiers
| CAS Number | 114829-23-1 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)Cl)C |
Product Overview
BAS 02098822 (CAS 114829-23-1), with molecular formula C16H20ClNO4 and molecular weight 325.11 g/mol. IUPAC: 2-(diethylamino)ethyl 4-chloro-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of BAS 02098822
Property Insights of BAS 02098822
The XLogP value of 3.59882 indicates that BAS 02098822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02098822. Following Lipinski's Rule of Five, BAS 02098822 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 BAS 02098822?
The CAS number of BAS 02098822 is 114829-23-1.
What is the molecular formula of BAS 02098822?
The molecular formula of BAS 02098822 is C16H20ClNO4.
What is the molecular weight of BAS 02098822?
The molecular weight of BAS 02098822 is 325.11 g/mol.
Where can I buy BAS 02098822?
You can request a quote for BAS 02098822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02098822?
Yes, KEHONG BIO provides custom synthesis services for BAS 02098822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.