F3394-0696
TL;DR: F3394-0696 (CAS 671200-59-2) is a chemical compound with molecular formula C29H23F2N3O2S2 and molecular weight 547.12 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-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: F3394-0696, 2-({2-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-[2-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-(1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C29H23F2N3O2S2 |
|---|---|
| Molecular Weight | 547.12 g/mol |
| LogP | 6.97174 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.12 |
| Heavy Atoms | 38 |
| Complexity | 1753.5471 |
Chemical Identifiers
| CAS Number | 671200-59-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)F)F)C)C(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC=C |
Product Overview
F3394-0696 (CAS 671200-59-2), with molecular formula C29H23F2N3O2S2 and molecular weight 547.12 g/mol. IUPAC: 2-[2-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of F3394-0696
Property Insights of F3394-0696
The XLogP value of 6.97174 indicates that F3394-0696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, F3394-0696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F3394-0696 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 F3394-0696?
The CAS number of F3394-0696 is 671200-59-2.
What is the molecular formula of F3394-0696?
The molecular formula of F3394-0696 is C29H23F2N3O2S2.
What is the molecular weight of F3394-0696?
The molecular weight of F3394-0696 is 547.12 g/mol.
Where can I buy F3394-0696?
You can request a quote for F3394-0696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0696?
Yes, KEHONG BIO provides custom synthesis services for F3394-0696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.