2-(benzylsulfanyl)-N-cyclopropylacetamide
TL;DR: 2-(benzylsulfanyl)-N-cyclopropylacetamide (CAS 428496-97-3) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-cyclopropylacetamide
Also Known As: 2-(benzylsulfanyl)-N-cyclopropylacetamide, 2-(Benzylthio)-N-cyclopropylacetamid, 2-benzylsulfanyl-N-cyclopropylacetamide, N-cyclopropyl-2-(phenylmethylthio)acetamide, AB00108977-01
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 428496-97-3 |
|---|---|
| SMILES | C1CC1NC(=O)CSCC2=CC=CC=C2 |
| InChIKey | ZLJUHJRDKHNVSA-UHFFFAOYSA-N |
Product Overview
2-(benzylsulfanyl)-N-cyclopropylacetamide (CAS 428496-97-3), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: 2-benzylsulfanyl-N-cyclopropylacetamide.
Chemical Property Profile of 2-(benzylsulfanyl)-N-cyclopropylacetamide
Property Insights of 2-(benzylsulfanyl)-N-cyclopropylacetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylsulfanyl)-N-cyclopropylacetamide. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(benzylsulfanyl)-N-cyclopropylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-N-cyclopropylacetamide has 1 hydrogen bond donor(s) and 2 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 2-(benzylsulfanyl)-N-cyclopropylacetamide?
The CAS number of 2-(benzylsulfanyl)-N-cyclopropylacetamide is 428496-97-3.
What is the molecular formula of 2-(benzylsulfanyl)-N-cyclopropylacetamide?
The molecular formula of 2-(benzylsulfanyl)-N-cyclopropylacetamide is C12H15NOS.
What is the molecular weight of 2-(benzylsulfanyl)-N-cyclopropylacetamide?
The molecular weight of 2-(benzylsulfanyl)-N-cyclopropylacetamide is 221.09 g/mol.
Where can I buy 2-(benzylsulfanyl)-N-cyclopropylacetamide?
You can request a quote for 2-(benzylsulfanyl)-N-cyclopropylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-N-cyclopropylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-N-cyclopropylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.