N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide
TL;DR: N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide (CAS 63017-92-5) is a chemical compound with molecular formula C13H19NOS2 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide
Also Known As: N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide
| Molecular Formula | C13H19NOS2 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.09082 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 63017-92-5 |
|---|---|
| SMILES | CCC(C(=O)N(C)C1=CC=CC=C1)(SC)SC |
| InChIKey | XULIPEBUGXWYKW-UHFFFAOYSA-N |
Product Overview
N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide (CAS 63017-92-5), with molecular formula C13H19NOS2 and molecular weight 269.09 g/mol. IUPAC: N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide.
Chemical Property Profile of N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide
Property Insights of N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide
The XLogP value of 3.5 indicates that N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide. Following Lipinski's Rule of Five, N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide has 0 hydrogen bond donor(s) and 3 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 N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide?
The CAS number of N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide is 63017-92-5.
What is the molecular formula of N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide?
The molecular formula of N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide is C13H19NOS2.
What is the molecular weight of N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide?
The molecular weight of N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide is 269.09 g/mol.
Where can I buy N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide?
You can request a quote for N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2,2-bis(methylsulfanyl)-N-phenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.