C16H24ClNO5.ClH
TL;DR: C16H24ClNO5.ClH (CAS 54112-79-7) is a chemical compound with molecular formula C16H25Cl2NO5 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 2-((2-chloroethyl)ethylamino)ethyl ester, hydrochloride, 3,4,5-Trimethoxybenzoic acid 2-((2-chloroethyl)ethylamino)ethyl ester hydrochloride, 2-chloroethyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride, RefChem:1079005
| Molecular Formula | C16H25Cl2NO5 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | -1.98 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 381.111 |
| Heavy Atoms | 24 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 54112-79-7 |
|---|---|
| SMILES | CC[NH+](CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCCl.[Cl-] |
| InChIKey | UKBGDGXUYHKARF-UHFFFAOYSA-N |
Product Overview
C16H24ClNO5.ClH (CAS 54112-79-7), with molecular formula C16H25Cl2NO5 and molecular weight 381.11 g/mol. IUPAC: 2-chloroethyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of C16H24ClNO5.ClH
Property Insights of C16H24ClNO5.ClH
The XLogP value of -1.98 indicates that C16H24ClNO5.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, C16H24ClNO5.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H24ClNO5.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
Frequently Asked Questions
What is the CAS number of C16H24ClNO5.ClH?
The CAS number of C16H24ClNO5.ClH is 54112-79-7.
What is the molecular formula of C16H24ClNO5.ClH?
The molecular formula of C16H24ClNO5.ClH is C16H25Cl2NO5.
What is the molecular weight of C16H24ClNO5.ClH?
The molecular weight of C16H24ClNO5.ClH is 381.11 g/mol.
Where can I buy C16H24ClNO5.ClH?
You can request a quote for C16H24ClNO5.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H24ClNO5.ClH?
Yes, KEHONG BIO provides custom synthesis services for C16H24ClNO5.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.