RefChem:326995
TL;DR: RefChem:326995 (CAS 54112-82-2) is a chemical compound with molecular formula C19H31Cl2NO5 and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 2-((4-chloropentyl)ethylamino)ethyl ester, hydrochloride, 3,4,5-Trimethoxybenzoic acid 2-((4-chloropentyl)ethylamino)ethyl ester hydrochloride, 4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride, RefChem:326995
| Molecular Formula | C19H31Cl2NO5 |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 423.15793 |
| Heavy Atoms | 27 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 54112-82-2 |
|---|---|
| SMILES | CC[NH+](CCCC(C)Cl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[Cl-] |
| InChIKey | DHYMJAYKFZZOLW-UHFFFAOYSA-N |
Product Overview
RefChem:326995 (CAS 54112-82-2), with molecular formula C19H31Cl2NO5 and molecular weight 423.16 g/mol. IUPAC: 4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:326995
Property Insights of RefChem:326995
The XLogP value of -0.81 indicates that RefChem:326995 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, RefChem:326995 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326995 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
Frequently Asked Questions
What is the CAS number of RefChem:326995?
The CAS number of RefChem:326995 is 54112-82-2.
What is the molecular formula of RefChem:326995?
The molecular formula of RefChem:326995 is C19H31Cl2NO5.
What is the molecular weight of RefChem:326995?
The molecular weight of RefChem:326995 is 423.16 g/mol.
Where can I buy RefChem:326995?
You can request a quote for RefChem:326995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326995?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.