F3394-0612
TL;DR: F3394-0612 (CAS 690642-50-3) is a chemical compound with molecular formula C24H27N3O3S3 and molecular weight 501.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F3394-0612, ethyl 2-(2-{8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C24H27N3O3S3 |
|---|---|
| Molecular Weight | 501.12 g/mol |
| LogP | 5.808 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.12146 |
| Heavy Atoms | 33 |
| Complexity | 1200.7339 |
Chemical Identifiers
| CAS Number | 690642-50-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCCCC5 |
Product Overview
F3394-0612 (CAS 690642-50-3), with molecular formula C24H27N3O3S3 and molecular weight 501.12 g/mol. IUPAC: ethyl 2-[[2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F3394-0612
Property Insights of F3394-0612
The XLogP value of 5.808 indicates that F3394-0612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0612. Following Lipinski's Rule of Five, F3394-0612 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0612?
The CAS number of F3394-0612 is 690642-50-3.
What is the molecular formula of F3394-0612?
The molecular formula of F3394-0612 is C24H27N3O3S3.
What is the molecular weight of F3394-0612?
The molecular weight of F3394-0612 is 501.12 g/mol.
Where can I buy F3394-0612?
You can request a quote for F3394-0612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0612?
Yes, KEHONG BIO provides custom synthesis services for F3394-0612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.