F1161-0104
TL;DR: F1161-0104 (CAS 489402-92-8) is a chemical compound with molecular formula C21H17ClN4O3S2 and molecular weight 472.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: F1161-0104, 4-allyl-3-(3-chloro-6-methoxybenzo[b]thiophen-2-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole, 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole, 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C21H17ClN4O3S2 |
|---|---|
| Molecular Weight | 472.04 g/mol |
| LogP | 6.2083 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.04306 |
| Heavy Atoms | 31 |
| Complexity | 1267.8597 |
Chemical Identifiers
| CAS Number | 489402-92-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
F1161-0104 (CAS 489402-92-8), with molecular formula C21H17ClN4O3S2 and molecular weight 472.04 g/mol. IUPAC: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of F1161-0104
Property Insights of F1161-0104
The XLogP value of 6.2083 indicates that F1161-0104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F1161-0104. Following Lipinski's Rule of Five, F1161-0104 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1161-0104?
The CAS number of F1161-0104 is 489402-92-8.
What is the molecular formula of F1161-0104?
The molecular formula of F1161-0104 is C21H17ClN4O3S2.
What is the molecular weight of F1161-0104?
The molecular weight of F1161-0104 is 472.04 g/mol.
Where can I buy F1161-0104?
You can request a quote for F1161-0104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1161-0104?
Yes, KEHONG BIO provides custom synthesis services for F1161-0104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.