C15H18ClNO4
TL;DR: C15H18ClNO4 (CAS 56879-64-2) is a chemical compound with molecular formula C15H18ClNO4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: 3-Benzofurancarboxylic acid, 6-chloro-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-, ethyl ester, ethyl 6-chloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, AH-262/32928003, 6-Chloro-4-dimethylaminomethyl-5-hydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester, ethyl 6-chloro-4-((dimethylamino)methyl)-5-hydroxy-2-methylbenzofuran-3-carboxylate
| Molecular Formula | C15H18ClNO4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09244 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
| Solubility | 43.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 56879-64-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)O)Cl)C |
| InChIKey | UBMIKLUSHCSWBA-UHFFFAOYSA-N |
Product Overview
C15H18ClNO4 (CAS 56879-64-2), with molecular formula C15H18ClNO4 and molecular weight 311.09 g/mol. IUPAC: ethyl 6-chloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of C15H18ClNO4
Property Insights of C15H18ClNO4
The XLogP value of 3.1 indicates that C15H18ClNO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H18ClNO4. Following Lipinski's Rule of Five, C15H18ClNO4 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 C15H18ClNO4?
The CAS number of C15H18ClNO4 is 56879-64-2.
What is the molecular formula of C15H18ClNO4?
The molecular formula of C15H18ClNO4 is C15H18ClNO4.
What is the molecular weight of C15H18ClNO4?
The molecular weight of C15H18ClNO4 is 311.09 g/mol.
Where can I buy C15H18ClNO4?
You can request a quote for C15H18ClNO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H18ClNO4?
Yes, KEHONG BIO provides custom synthesis services for C15H18ClNO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.