F3394-0629
TL;DR: F3394-0629 (CAS 690642-55-8) is a chemical compound with molecular formula C25H22ClN3O3S2 and molecular weight 511.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: F3394-0629, 2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one, 2-((5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone, 2-[3-(p-chlorophenyl)-1-thia-5,7-diaza-4-indenylthio]-1-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolyl)-1-ethanone
| Molecular Formula | C25H22ClN3O3S2 |
|---|---|
| Molecular Weight | 511.08 g/mol |
| LogP | 5.7059 |
| Topological Polar Surface Area | 64.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.0791 |
| Heavy Atoms | 34 |
| Complexity | 1357.7823 |
Chemical Identifiers
| CAS Number | 690642-55-8 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl)OC |
Product Overview
F3394-0629 (CAS 690642-55-8), with molecular formula C25H22ClN3O3S2 and molecular weight 511.08 g/mol. IUPAC: 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of F3394-0629
Property Insights of F3394-0629
The XLogP value of 5.7059 indicates that F3394-0629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.55 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0629. Following Lipinski's Rule of Five, F3394-0629 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 F3394-0629?
The CAS number of F3394-0629 is 690642-55-8.
What is the molecular formula of F3394-0629?
The molecular formula of F3394-0629 is C25H22ClN3O3S2.
What is the molecular weight of F3394-0629?
The molecular weight of F3394-0629 is 511.08 g/mol.
Where can I buy F3394-0629?
You can request a quote for F3394-0629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0629?
Yes, KEHONG BIO provides custom synthesis services for F3394-0629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.