C18H23NO4.ClH
TL;DR: C18H23NO4.ClH (CAS 40963-83-5) is a chemical compound with molecular formula C18H24ClNO4 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
Also Known As: 5-Methoxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride, 2-(Piperidinomethyl)-3-carboethoxy-5-methoxybenzofuran hydrochloride, 3-Benzofurancarboxylic acid, 5-methoxy-2-(piperidinomethyl)-, ethyl ester, hydrochloride, ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
| Molecular Formula | C18H24ClNO4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.13937 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 40963-83-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCCCC3.[Cl-] |
| InChIKey | HGZSBQVMILARPH-UHFFFAOYSA-N |
Product Overview
C18H23NO4.ClH (CAS 40963-83-5), with molecular formula C18H24ClNO4 and molecular weight 353.14 g/mol. IUPAC: ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride.
Chemical Property Profile of C18H23NO4.ClH
Property Insights of C18H23NO4.ClH
The XLogP value of -0.81 indicates that C18H23NO4.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.1 Ų, C18H23NO4.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H23NO4.ClH 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 C18H23NO4.ClH?
The CAS number of C18H23NO4.ClH is 40963-83-5.
What is the molecular formula of C18H23NO4.ClH?
The molecular formula of C18H23NO4.ClH is C18H24ClNO4.
What is the molecular weight of C18H23NO4.ClH?
The molecular weight of C18H23NO4.ClH is 353.14 g/mol.
Where can I buy C18H23NO4.ClH?
You can request a quote for C18H23NO4.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H23NO4.ClH?
Yes, KEHONG BIO provides custom synthesis services for C18H23NO4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.