F3394-0442
TL;DR: F3394-0442 (CAS 670273-90-2) is a chemical compound with molecular formula C32H28ClN3O4S3 and molecular weight 649.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[5-(4-chlorophenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F3394-0442, ethyl 2-(2-{[5-(4-chlorophenyl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-((5-(4-chlorophenyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-[5-(4-chlorophenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C32H28ClN3O4S3 |
|---|---|
| Molecular Weight | 649.09 g/mol |
| LogP | 8.0055 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 649.093 |
| Heavy Atoms | 43 |
| Complexity | 1863.075 |
Chemical Identifiers
| CAS Number | 670273-90-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3C6=CC=CC=C6 |
Product Overview
F3394-0442 (CAS 670273-90-2), with molecular formula C32H28ClN3O4S3 and molecular weight 649.09 g/mol. IUPAC: ethyl 2-[[2-[5-(4-chlorophenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F3394-0442
Property Insights of F3394-0442
The XLogP value of 8.0055 indicates that F3394-0442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0442. Following Lipinski's Rule of Five, F3394-0442 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 F3394-0442?
The CAS number of F3394-0442 is 670273-90-2.
What is the molecular formula of F3394-0442?
The molecular formula of F3394-0442 is C32H28ClN3O4S3.
What is the molecular weight of F3394-0442?
The molecular weight of F3394-0442 is 649.09 g/mol.
Where can I buy F3394-0442?
You can request a quote for F3394-0442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0442?
Yes, KEHONG BIO provides custom synthesis services for F3394-0442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.