4T-0015
TL;DR: 4T-0015 (CAS 685106-58-5) is a chemical compound with molecular formula C22H19N3O2S2 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-1H-1,2,4-triazol-3-yl] 2-phenylethanethioate
Also Known As: 4T-0015, S-(5-{3-[(4-methylbenzyl)oxy]-2-thienyl}-4H-1,2,4-triazol-3-yl) 2-phenylethanethioate, S-[5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-1H-1,2,4-triazol-3-yl] 2-phenylethanethioate, 1-[(5-{3-[(4-methylphenyl)methoxy]thiophen-2-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethan-1-one, S-[3-[3-[(4-Methylphenyl)methoxy]-2-thienyl]-1H-1,2,4-triazol-5-yl] benzeneethanethioate
| Molecular Formula | C22H19N3O2S2 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 5.28202 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.09186 |
| Heavy Atoms | 29 |
| Complexity | 1088.72 |
Chemical Identifiers
| CAS Number | 685106-58-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=C(SC=C2)C3=NC(=NN3)SC(=O)CC4=CC=CC=C4 |
Product Overview
4T-0015 (CAS 685106-58-5), with molecular formula C22H19N3O2S2 and molecular weight 421.09 g/mol. IUPAC: S-[5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-1H-1,2,4-triazol-3-yl] 2-phenylethanethioate.
Chemical Property Profile of 4T-0015
Property Insights of 4T-0015
The XLogP value of 5.28202 indicates that 4T-0015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4T-0015. Following Lipinski's Rule of Five, 4T-0015 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4T-0015?
The CAS number of 4T-0015 is 685106-58-5.
What is the molecular formula of 4T-0015?
The molecular formula of 4T-0015 is C22H19N3O2S2.
What is the molecular weight of 4T-0015?
The molecular weight of 4T-0015 is 421.09 g/mol.
Where can I buy 4T-0015?
You can request a quote for 4T-0015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4T-0015?
Yes, KEHONG BIO provides custom synthesis services for 4T-0015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.