1-(Fim-PE)-dtqd
TL;DR: 1-(Fim-PE)-dtqd (CAS 136701-68-3) is a chemical compound with molecular formula C25H29FN4O2S and molecular weight 468.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-2λ6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide
Also Known As: 1-(Fim-PE)-dtqd, 1-(2-(4-((5-Fluoro-1H-indol-3-yl)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-1H,4H-1,2,5-thiadiazolo(4,3,2-ij)quinoline 2,2-dioxide, 1-(2-(4-( -5,6-dihydro-1H,4H-1,2,5-thiadiazolo quinoline2,2-dioxide, 1H,4H-[1,2,5]Thiadiazolo[4,3,2-ij]quinoline,1-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-,2,2-dioxide, 1-(2-(4-((5-fluoro-1H-indol-3-yl)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-1H,4H-1,2,5-thiadiazolo(4,
| Molecular Formula | C25H29FN4O2S |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.19952 |
| Heavy Atoms | 33 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 136701-68-3 |
|---|---|
| SMILES | C1CC2=C3C(=CC=C2)N(S(=O)(=O)N3C1)CCN4CCC(CC4)CC5=CNC6=C5C=C(C=C6)F |
| InChIKey | NZUSTSFFNOEAHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Fim-PE)-dtqd (CAS 136701-68-3), with molecular formula C25H29FN4O2S and molecular weight 468.20 g/mol. IUPAC: 3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-2λ6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide.
Chemical Property Profile of 1-(Fim-PE)-dtqd
Property Insights of 1-(Fim-PE)-dtqd
The XLogP value of 4.0 indicates that 1-(Fim-PE)-dtqd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Fim-PE)-dtqd. Following Lipinski's Rule of Five, 1-(Fim-PE)-dtqd has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Fim-PE)-dtqd?
The CAS number of 1-(Fim-PE)-dtqd is 136701-68-3.
What is the molecular formula of 1-(Fim-PE)-dtqd?
The molecular formula of 1-(Fim-PE)-dtqd is C25H29FN4O2S.
What is the molecular weight of 1-(Fim-PE)-dtqd?
The molecular weight of 1-(Fim-PE)-dtqd is 468.20 g/mol.
Where can I buy 1-(Fim-PE)-dtqd?
You can request a quote for 1-(Fim-PE)-dtqd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Fim-PE)-dtqd?
Yes, KEHONG BIO provides custom synthesis services for 1-(Fim-PE)-dtqd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.