C18H28ClNO5.ClH
TL;DR: C18H28ClNO5.ClH (CAS 54112-78-6) is a chemical compound with molecular formula C18H29Cl2NO5 and molecular weight 409.14227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobutyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 2-((4-chlorobutyl)ethylamino)ethyl ester, hydrochloride, 3,4,5-Trimethoxybenzoic acid 2-((4-chlorobutyl)ethylamino)ethyl ester hydrochloride, 4-chlorobutyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Technical Specifications
| Molecular Formula | C18H29Cl2NO5 |
| Molecular Weight | 409.14227 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 409.14227 Da |
| Heavy Atoms | 26 |
| Complexity | 357.0 |
| SMILES | CC[NH+](CCCCCl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[Cl-] |
| InChIKey | QLNLCGPOQRHKDB-UHFFFAOYSA-N |
Chemical Property Profile of C18H28ClNO5.ClH
Property Insights of C18H28ClNO5.ClH
The XLogP value of -1.2 indicates that C18H28ClNO5.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, C18H28ClNO5.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H28ClNO5.ClH has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H28ClNO5.ClH?
The CAS number of C18H28ClNO5.ClH is 54112-78-6.
What is the molecular formula of C18H28ClNO5.ClH?
The molecular formula of C18H28ClNO5.ClH is C18H29Cl2NO5.
What is the molecular weight of C18H28ClNO5.ClH?
The molecular weight of C18H28ClNO5.ClH is 409.14227 g/mol.
Where can I buy C18H28ClNO5.ClH?
You can request a quote for C18H28ClNO5.ClH directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H28ClNO5.ClH?
Yes, CoreyChem provides custom synthesis services for C18H28ClNO5.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.