Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride
TL;DR: Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride (CAS 102516-84-7) is a chemical compound with molecular formula C20H24ClNO3S and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiomorpholin-4-ium-4-ylethyl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: 2-(N-Thiamorpholino)ethyl benzilate hydrochloride, BENZILIC ACID, 2-THIOMORPHOLINOETHYL ESTER, HYDROCHLORIDE, 2-thiomorpholin-4-ium-4-ylethyl 2-hydroxy-2,2-diphenylacetate chloride, 2-thiomorpholin-4-ium-4-ylethyl2-hydroxy-2,2-diphenylacetate, Benzeneacetic acid, a-hydroxy-a-phenyl-,2-(4-thiomorpholinyl)ethyl ester, hydrochloride (9CI)
| Molecular Formula | C20H24ClNO3S |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.11655 |
| Heavy Atoms | 26 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 102516-84-7 |
|---|---|
| SMILES | C1CSCC[NH+]1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | KCGLNQYJHNVVHI-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride (CAS 102516-84-7), with molecular formula C20H24ClNO3S and molecular weight 393.12 g/mol. IUPAC: 2-thiomorpholin-4-ium-4-ylethyl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride
Property Insights of Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride
The XLogP value of -1.9 indicates that Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride has 2 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 Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride?
The CAS number of Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride is 102516-84-7.
What is the molecular formula of Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride?
The molecular formula of Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride is C20H24ClNO3S.
What is the molecular weight of Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride?
The molecular weight of Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride is 393.12 g/mol.
Where can I buy Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride?
You can request a quote for Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.