F0594-0329
TL;DR: F0594-0329 (CAS 905681-07-4) is a chemical compound with molecular formula C18H17N3O4S3 and molecular weight 435.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0594-0329, METHYL 2-(2-{[5-(THIOPHEN-2-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(2-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({[5-(2-thienyl)-1,3,4-oxadiazol-2-ylthio]methyl}carbonylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C18H17N3O4S3 |
|---|---|
| Molecular Weight | 435.04 g/mol |
| LogP | 4.2558 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.03812 |
| Heavy Atoms | 28 |
| Complexity | 994.06244 |
Chemical Identifiers
| CAS Number | 905681-07-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(O3)C4=CC=CS4 |
Product Overview
F0594-0329 (CAS 905681-07-4), with molecular formula C18H17N3O4S3 and molecular weight 435.04 g/mol. IUPAC: methyl 2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0594-0329
Property Insights of F0594-0329
The XLogP value of 4.2558 indicates that F0594-0329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for F0594-0329. Following Lipinski's Rule of Five, F0594-0329 has 1 hydrogen bond donor(s) and 9 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 F0594-0329?
The CAS number of F0594-0329 is 905681-07-4.
What is the molecular formula of F0594-0329?
The molecular formula of F0594-0329 is C18H17N3O4S3.
What is the molecular weight of F0594-0329?
The molecular weight of F0594-0329 is 435.04 g/mol.
Where can I buy F0594-0329?
You can request a quote for F0594-0329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0594-0329?
Yes, KEHONG BIO provides custom synthesis services for F0594-0329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.