F0594-0071
TL;DR: F0594-0071 (CAS 896676-00-9) is a chemical compound with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F0594-0071, methyl 2-(2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C22H23N3O4S2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 4.89282 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.113 |
| Heavy Atoms | 31 |
| Complexity | 1106.1237 |
Chemical Identifiers
| CAS Number | 896676-00-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(O2)SCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC |
Product Overview
F0594-0071 (CAS 896676-00-9), with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol. IUPAC: methyl 2-[[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0594-0071
Property Insights of F0594-0071
The XLogP value of 4.89282 indicates that F0594-0071 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 F0594-0071. Following Lipinski's Rule of Five, F0594-0071 has 1 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 F0594-0071?
The CAS number of F0594-0071 is 896676-00-9.
What is the molecular formula of F0594-0071?
The molecular formula of F0594-0071 is C22H23N3O4S2.
What is the molecular weight of F0594-0071?
The molecular weight of F0594-0071 is 457.11 g/mol.
Where can I buy F0594-0071?
You can request a quote for F0594-0071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0594-0071?
Yes, KEHONG BIO provides custom synthesis services for F0594-0071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.