F3394-0406
TL;DR: F3394-0406 (CAS 690644-77-0) is a chemical compound with molecular formula C28H22FN3O5S3 and molecular weight 595.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-fluorophenyl)-2-[[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
Also Known As: F3394-0406, ethyl 4-(4-fluorophenyl)-2-(2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate, ethyl 2-(2-((3-allyl-5-(furan-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate, ethyl 4-(4-fluorophenyl)-2-[[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate, ethyl 2-({[5-allyl-3-(2-furyl)-4-oxo-1-thia-5,7-diaza-4,5-dihydro-6-indenylthio]methyl}carbonylamino)-4-(p-fluorophenyl)-3-thenoate
| Molecular Formula | C28H22FN3O5S3 |
|---|---|
| Molecular Weight | 595.07 g/mol |
| LogP | 6.6791 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 595.07056 |
| Heavy Atoms | 40 |
| Complexity | 1754.3727 |
Chemical Identifiers
| CAS Number | 690644-77-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3CC=C |
Product Overview
F3394-0406 (CAS 690644-77-0), with molecular formula C28H22FN3O5S3 and molecular weight 595.07 g/mol. IUPAC: ethyl 4-(4-fluorophenyl)-2-[[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of F3394-0406
Property Insights of F3394-0406
The XLogP value of 6.6791 indicates that F3394-0406 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0406. Following Lipinski's Rule of Five, F3394-0406 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0406?
The CAS number of F3394-0406 is 690644-77-0.
What is the molecular formula of F3394-0406?
The molecular formula of F3394-0406 is C28H22FN3O5S3.
What is the molecular weight of F3394-0406?
The molecular weight of F3394-0406 is 595.07 g/mol.
Where can I buy F3394-0406?
You can request a quote for F3394-0406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0406?
Yes, KEHONG BIO provides custom synthesis services for F3394-0406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.