![2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure](/static/products/6861/68614-60-8.webp)
2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
TL;DR: 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid (CAS 68614-60-8) is a chemical compound with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]su, ({5-[(Naphthalen-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, ACETIC ACID,2-[[5-(1-NAPHTHALENYLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO]-
| Molecular Formula | C21H17N3O2S |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.10416 |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 68614-60-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CC3=CC=CC4=CC=CC=C43 |
| InChIKey | OMNALNBDQLKNRM-UHFFFAOYSA-N |
Product Overview
2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid (CAS 68614-60-8), with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol. IUPAC: 2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Property Insights of 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
The XLogP value of 4.7 indicates that 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 5 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 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The CAS number of 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid is 68614-60-8.
What is the molecular formula of 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The molecular formula of 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid is C21H17N3O2S.
What is the molecular weight of 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The molecular weight of 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid is 375.10 g/mol.
Where can I buy 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
You can request a quote for 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(Naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.