2M-322S
TL;DR: 2M-322S (CAS 861208-62-0) is a chemical compound with molecular formula C16H15F3N2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidothioate
Also Known As: 2M-322S, 1-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)-3-(trifluoromethyl)benzene, (E)-N'-phenyl-N-{[3-(trifluoromethyl)phenyl]methyl}(methylsulfanyl)methanimidamide, methyl N-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidothioate, N-phenyl-N'-{[3-(trifluoromethyl)phenyl]methyl}methylsulfanylmethanimidamide
| Molecular Formula | C16H15F3N2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 5.0365 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0908 |
| Heavy Atoms | 22 |
| Complexity | 639.33923 |
Chemical Identifiers
| CAS Number | 861208-62-0 |
|---|---|
| SMILES | CSC(=NCC1=CC(=CC=C1)C(F)(F)F)NC2=CC=CC=C2 |
Product Overview
2M-322S (CAS 861208-62-0), with molecular formula C16H15F3N2S and molecular weight 324.09 g/mol. IUPAC: methyl N-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidothioate.
Chemical Property Profile of 2M-322S
Property Insights of 2M-322S
The XLogP value of 5.0365 indicates that 2M-322S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 2M-322S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2M-322S has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2M-322S?
The CAS number of 2M-322S is 861208-62-0.
What is the molecular formula of 2M-322S?
The molecular formula of 2M-322S is C16H15F3N2S.
What is the molecular weight of 2M-322S?
The molecular weight of 2M-322S is 324.09 g/mol.
Where can I buy 2M-322S?
You can request a quote for 2M-322S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2M-322S?
Yes, KEHONG BIO provides custom synthesis services for 2M-322S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.