RefChem:1061628
TL;DR: RefChem:1061628 (CAS 84245-04-5) is a chemical compound with molecular formula C16H24ClNO2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(1-phenylsulfanylcyclopropanecarbonyl)oxyethyl]azanium chloride
Also Known As: 1-(Phenylthio)cyclopropanecarboxylic acid 2-(diethylamino)ethyl ester hydrochloride, DIETHYL-[2-(1-PHENYLSULFANYLCYCLOPROPANECARBONYL)OXYETHYL]AZANIUMCHLORIDE, Cyclopropanecarboxylic acid, 1-(phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride, diethyl-[2-(1-phenylsulfanylcyclopropanecarbonyl)oxyethyl]azanium chloride, 2-(Diethylamino)ethyl 1-(phenylsulfanyl)cyclopropane-1-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C16H24ClNO2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | -1.22 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 329.12164 |
| Heavy Atoms | 21 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 84245-04-5 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1(CC1)SC2=CC=CC=C2.[Cl-] |
| InChIKey | CJDXOBWCIBDBNS-UHFFFAOYSA-N |
Product Overview
RefChem:1061628 (CAS 84245-04-5), with molecular formula C16H24ClNO2S and molecular weight 329.12 g/mol. IUPAC: diethyl-[2-(1-phenylsulfanylcyclopropanecarbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1061628
Property Insights of RefChem:1061628
The XLogP value of -1.22 indicates that RefChem:1061628 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.0 Ų, RefChem:1061628 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061628 has 1 hydrogen bond donor(s) and 4 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:1061628?
The CAS number of RefChem:1061628 is 84245-04-5.
What is the molecular formula of RefChem:1061628?
The molecular formula of RefChem:1061628 is C16H24ClNO2S.
What is the molecular weight of RefChem:1061628?
The molecular weight of RefChem:1061628 is 329.12 g/mol.
Where can I buy RefChem:1061628?
You can request a quote for RefChem:1061628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061628?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.