{(CH3)3SN}2N-iso-C3H7
TL;DR: {(CH3)3SN}2N-iso-C3H7 (CAS 6031-50-1) is a chemical compound with molecular formula C24H25F4N3OS and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxamide
Also Known As: {(CH3)3SN}2N-iso-C3H7, N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxamide, N,N-Diethyl-2-[([(2-fluorophenyl)methyl]{[3-(trifluoromethyl)phenyl]methyl}amino)methyl]-1,3-thiazole-4-carboxamide
| Molecular Formula | C24H25F4N3OS |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 5.9854 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.16544 |
| Heavy Atoms | 33 |
| Complexity | 1079.3213 |
Chemical Identifiers
| CAS Number | 6031-50-1 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CSC(=N1)CN(CC2=CC(=CC=C2)C(F)(F)F)CC3=CC=CC=C3F |
Product Overview
{(CH3)3SN}2N-iso-C3H7 (CAS 6031-50-1), with molecular formula C24H25F4N3OS and molecular weight 479.17 g/mol. IUPAC: N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxamide.
Chemical Property Profile of {(CH3)3SN}2N-iso-C3H7
Property Insights of {(CH3)3SN}2N-iso-C3H7
The XLogP value of 5.9854 indicates that {(CH3)3SN}2N-iso-C3H7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, {(CH3)3SN}2N-iso-C3H7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {(CH3)3SN}2N-iso-C3H7 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {(CH3)3SN}2N-iso-C3H7?
The CAS number of {(CH3)3SN}2N-iso-C3H7 is 6031-50-1.
What is the molecular formula of {(CH3)3SN}2N-iso-C3H7?
The molecular formula of {(CH3)3SN}2N-iso-C3H7 is C24H25F4N3OS.
What is the molecular weight of {(CH3)3SN}2N-iso-C3H7?
The molecular weight of {(CH3)3SN}2N-iso-C3H7 is 479.17 g/mol.
Where can I buy {(CH3)3SN}2N-iso-C3H7?
You can request a quote for {(CH3)3SN}2N-iso-C3H7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {(CH3)3SN}2N-iso-C3H7?
Yes, KEHONG BIO provides custom synthesis services for {(CH3)3SN}2N-iso-C3H7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.