(S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone
TL;DR: (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 1164555-10-5) is a chemical compound with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone, 2-({5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-chlorophenyl)ethanone, 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone, 2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(4-chloro-phenyl)-ethanone
| Molecular Formula | C12H12ClN3O2S |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 2.7177 |
| Topological Polar Surface Area | 82.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.03387 |
| Heavy Atoms | 19 |
| Complexity | 568.6084 |
Chemical Identifiers
| CAS Number | 1164555-10-5 |
|---|---|
| SMILES | C[C@@H](C1=NN=C(O1)SCC(=O)C2=CC=C(C=C2)Cl)N |
Product Overview
(S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 1164555-10-5), with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol. IUPAC: 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone
Property Insights of (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone
The XLogP value of 2.7177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone. The TPSA of 82.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone. Following Lipinski's Rule of Five, (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone 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 (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The CAS number of (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone is 1164555-10-5.
What is the molecular formula of (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular formula of (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone is C12H12ClN3O2S.
What is the molecular weight of (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular weight of (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone is 297.03 g/mol.
Where can I buy (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone?
You can request a quote for (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-((5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.