AB00114684-01
TL;DR: AB00114684-01 (CAS 342384-91-2) is a chemical compound with molecular formula C20H15N5O4S and molecular weight 421.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: AB00114684-01, AE-848/15341419, 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone, 2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone, 2-((4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3-nitrophenyl)ethanone
| Molecular Formula | C20H15N5O4S |
|---|---|
| Molecular Weight | 421.08 g/mol |
| LogP | 3.8646 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.08447 |
| Heavy Atoms | 30 |
| Complexity | 1175.1521 |
Chemical Identifiers
| CAS Number | 342384-91-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4 |
Product Overview
AB00114684-01 (CAS 342384-91-2), with molecular formula C20H15N5O4S and molecular weight 421.08 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of AB00114684-01
Property Insights of AB00114684-01
The XLogP value of 3.8646 indicates that AB00114684-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114684-01. Following Lipinski's Rule of Five, AB00114684-01 has 0 hydrogen bond donor(s) and 8 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 AB00114684-01?
The CAS number of AB00114684-01 is 342384-91-2.
What is the molecular formula of AB00114684-01?
The molecular formula of AB00114684-01 is C20H15N5O4S.
What is the molecular weight of AB00114684-01?
The molecular weight of AB00114684-01 is 421.08 g/mol.
Where can I buy AB00114684-01?
You can request a quote for AB00114684-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114684-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114684-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.