F3394-0694
TL;DR: F3394-0694 (CAS 727688-92-8) is a chemical compound with molecular formula C30H31N3O4S2 and molecular weight 561.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-(3,4-dimethylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: F3394-0694, 2-{[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-oxoethyl]sulfanyl}-5-(3,4-dimethylphenyl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-(3,4-dimethylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-allyl-6-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolyl)-2-oxoethylthio]-3-(3,4-xylyl)-1-thia-5,7-diaza-4(5H)-indenone
| Molecular Formula | C30H31N3O4S2 |
|---|---|
| Molecular Weight | 561.18 g/mol |
| LogP | 5.62204 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.1756 |
| Heavy Atoms | 39 |
| Complexity | 1639.7057 |
Chemical Identifiers
| CAS Number | 727688-92-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCC5=CC(=C(C=C5C4)OC)OC)CC=C)C |
Product Overview
F3394-0694 (CAS 727688-92-8), with molecular formula C30H31N3O4S2 and molecular weight 561.18 g/mol. IUPAC: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-(3,4-dimethylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of F3394-0694
Property Insights of F3394-0694
The XLogP value of 5.62204 indicates that F3394-0694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0694. Following Lipinski's Rule of Five, F3394-0694 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 F3394-0694?
The CAS number of F3394-0694 is 727688-92-8.
What is the molecular formula of F3394-0694?
The molecular formula of F3394-0694 is C30H31N3O4S2.
What is the molecular weight of F3394-0694?
The molecular weight of F3394-0694 is 561.18 g/mol.
Where can I buy F3394-0694?
You can request a quote for F3394-0694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0694?
Yes, KEHONG BIO provides custom synthesis services for F3394-0694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.