![2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid structure](/static/products/862/862901-00-6.png)
2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
TL;DR: 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 862901-00-6) is a chemical compound with molecular formula C16H14ClN3O4S and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-({5-[(4-chlorophenoxy)methyl]-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid, [5-(4-Chlorophenoxymethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid, 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio}acetic acid
| Molecular Formula | C16H14ClN3O4S |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 3.3285 |
| Topological Polar Surface Area | 90.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.03937 |
| Heavy Atoms | 25 |
| Complexity | 833.6992 |
Chemical Identifiers
| CAS Number | 862901-00-6 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC(=O)O)COC3=CC=C(C=C3)Cl |
Product Overview
2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 862901-00-6), with molecular formula C16H14ClN3O4S and molecular weight 379.04 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Property Insights of 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
The XLogP value of 3.3285 indicates that 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-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 90.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 6 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-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The CAS number of 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 862901-00-6.
What is the molecular formula of 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is C16H14ClN3O4S.
What is the molecular weight of 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 379.04 g/mol.
Where can I buy 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-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-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.