F1187-0049
TL;DR: F1187-0049 (CAS 6213-16-7) is a chemical compound with molecular formula C17H13BrN2OS and molecular weight 371.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: F1187-0049, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C17H13BrN2OS |
|---|---|
| Molecular Weight | 371.99 g/mol |
| LogP | 4.17948 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.9932 |
| Heavy Atoms | 22 |
| Complexity | 765.4638 |
Chemical Identifiers
| CAS Number | 6213-16-7 |
|---|---|
| SMILES | C1CC2=CC(=C(N=C2C1)SCC(=O)C3=CC=C(C=C3)Br)C#N |
Product Overview
F1187-0049 (CAS 6213-16-7), with molecular formula C17H13BrN2OS and molecular weight 371.99 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of F1187-0049
Property Insights of F1187-0049
The XLogP value of 4.17948 indicates that F1187-0049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, F1187-0049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1187-0049 has 0 hydrogen bond donor(s) and 4 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 F1187-0049?
The CAS number of F1187-0049 is 6213-16-7.
What is the molecular formula of F1187-0049?
The molecular formula of F1187-0049 is C17H13BrN2OS.
What is the molecular weight of F1187-0049?
The molecular weight of F1187-0049 is 371.99 g/mol.
Where can I buy F1187-0049?
You can request a quote for F1187-0049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1187-0049?
Yes, KEHONG BIO provides custom synthesis services for F1187-0049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.