F3394-0682
TL;DR: F3394-0682 (CAS 690642-74-1) is a chemical compound with molecular formula C30H25F2N3O2S2 and molecular weight 561.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: F3394-0682, 5-({2-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-((2-(1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{2-[1-(2,5-difluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethylthio}-3-phenyl-9-thia-1,3-diaza-5,6,7,8-tetrahydro-4(3H)-fluorenone
| Molecular Formula | C30H25F2N3O2S2 |
|---|---|
| Molecular Weight | 561.14 g/mol |
| LogP | 6.98674 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 561.1356 |
| Heavy Atoms | 39 |
| Complexity | 1805.0411 |
Chemical Identifiers
| CAS Number | 690642-74-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)F)F)C)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6 |
Product Overview
F3394-0682 (CAS 690642-74-1), with molecular formula C30H25F2N3O2S2 and molecular weight 561.14 g/mol. IUPAC: 2-[2-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of F3394-0682
Property Insights of F3394-0682
The XLogP value of 6.98674 indicates that F3394-0682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, F3394-0682 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F3394-0682 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0682?
The CAS number of F3394-0682 is 690642-74-1.
What is the molecular formula of F3394-0682?
The molecular formula of F3394-0682 is C30H25F2N3O2S2.
What is the molecular weight of F3394-0682?
The molecular weight of F3394-0682 is 561.14 g/mol.
Where can I buy F3394-0682?
You can request a quote for F3394-0682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0682?
Yes, KEHONG BIO provides custom synthesis services for F3394-0682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.