Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride
TL;DR: Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride (CAS 16780-08-8) is a chemical compound with molecular formula C15H22ClNO3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-morpholin-4-ium-4-ylethyl) 4-ethoxybenzenecarbothioate chloride
Also Known As: p-Ethoxythiobenzoic acid O-2-morpholinoethyl ester hydrochloride, BENZOIC ACID, p-ETHOXYTHIO-, O-2-MORPHOLINOETHYL ESTER, HYDROCHLORIDE, O-(2-morpholin-4-ium-4-ylethyl) 4-ethoxybenzenecarbothioate chloride, RefChem:327939
| Molecular Formula | C15H22ClNO3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1009 |
| Heavy Atoms | 21 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 16780-08-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=S)OCC[NH+]2CCOCC2.[Cl-] |
| InChIKey | VMMXEXDKYRUNJS-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride (CAS 16780-08-8), with molecular formula C15H22ClNO3S and molecular weight 331.10 g/mol. IUPAC: O-(2-morpholin-4-ium-4-ylethyl) 4-ethoxybenzenecarbothioate chloride.
Chemical Property Profile of Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride
Property Insights of Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride
The XLogP value of -2.3 indicates that Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride 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 Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride is 16780-08-8.
What is the molecular formula of Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride is C15H22ClNO3S.
What is the molecular weight of Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride is 331.10 g/mol.
Where can I buy Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.