3L-393S
TL;DR: 3L-393S (CAS 338413-60-8) is a chemical compound with molecular formula C21H17F3N2O2S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 3L-393S, [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-[3-(trifluoromethyl)phenyl]carbamate, {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-[3-(trifluoromethyl)phenyl]carbamate, {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methyl N-[3-(trifluoromethyl)phenyl]carbamate, {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methylN-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C21H17F3N2O2S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 6.30872 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.09628 |
| Heavy Atoms | 29 |
| Complexity | 991.71643 |
Chemical Identifiers
| CAS Number | 338413-60-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=CC=N2)COC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3L-393S (CAS 338413-60-8), with molecular formula C21H17F3N2O2S and molecular weight 418.10 g/mol. IUPAC: [2-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 3L-393S
Property Insights of 3L-393S
The XLogP value of 6.30872 indicates that 3L-393S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 3L-393S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3L-393S has 1 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 3L-393S?
The CAS number of 3L-393S is 338413-60-8.
What is the molecular formula of 3L-393S?
The molecular formula of 3L-393S is C21H17F3N2O2S.
What is the molecular weight of 3L-393S?
The molecular weight of 3L-393S is 418.10 g/mol.
Where can I buy 3L-393S?
You can request a quote for 3L-393S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3L-393S?
Yes, KEHONG BIO provides custom synthesis services for 3L-393S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.