J3.459.182B
TL;DR: J3.459.182B (CAS 690646-84-5) is a chemical compound with molecular formula C16H16N4O4S2 and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: J3.459.182B, VU0159146-4, ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, 4-(5-methyl-2-furanyl)-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester, ethyl 4-(5-methyl-2-furyl)-2-{[(1H-1,2,4-triazol-3-ylthio)acetyl]amino}-3-thiophenecarboxylate
| Molecular Formula | C16H16N4O4S2 |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 3.34212 |
| Topological Polar Surface Area | 110.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.0613 |
| Heavy Atoms | 26 |
| Complexity | 901.39764 |
Chemical Identifiers
| CAS Number | 690646-84-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC=NN3 |
Product Overview
J3.459.182B (CAS 690646-84-5), with molecular formula C16H16N4O4S2 and molecular weight 392.06 g/mol. IUPAC: ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of J3.459.182B
Property Insights of J3.459.182B
The XLogP value of 3.34212 indicates that J3.459.182B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.11 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.459.182B. Following Lipinski's Rule of Five, J3.459.182B has 2 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 J3.459.182B?
The CAS number of J3.459.182B is 690646-84-5.
What is the molecular formula of J3.459.182B?
The molecular formula of J3.459.182B is C16H16N4O4S2.
What is the molecular weight of J3.459.182B?
The molecular weight of J3.459.182B is 392.06 g/mol.
Where can I buy J3.459.182B?
You can request a quote for J3.459.182B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.459.182B?
Yes, KEHONG BIO provides custom synthesis services for J3.459.182B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.