F3394-0699
TL;DR: F3394-0699 (CAS 727688-94-0) is a chemical compound with molecular formula C25H27N3O4S2 and molecular weight 497.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: F3394-0699, 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-5-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-allyl-6-{2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethylthio}-3-(5-methyl-2-furyl)-1-thia-5,7-diaza-4(5H)-indenone
| Molecular Formula | C25H27N3O4S2 |
|---|---|
| Molecular Weight | 497.14 g/mol |
| LogP | 5.25216 |
| Topological Polar Surface Area | 79.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.1443 |
| Heavy Atoms | 34 |
| Complexity | 1424.0432 |
Chemical Identifiers
| CAS Number | 727688-94-0 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=C(N(C(=C4)C)CCOC)C)CC=C |
Product Overview
F3394-0699 (CAS 727688-94-0), with molecular formula C25H27N3O4S2 and molecular weight 497.14 g/mol. IUPAC: 2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of F3394-0699
Property Insights of F3394-0699
The XLogP value of 5.25216 indicates that F3394-0699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0699. Following Lipinski's Rule of Five, F3394-0699 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0699?
The CAS number of F3394-0699 is 727688-94-0.
What is the molecular formula of F3394-0699?
The molecular formula of F3394-0699 is C25H27N3O4S2.
What is the molecular weight of F3394-0699?
The molecular weight of F3394-0699 is 497.14 g/mol.
Where can I buy F3394-0699?
You can request a quote for F3394-0699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0699?
Yes, KEHONG BIO provides custom synthesis services for F3394-0699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.