AB00671787-01
TL;DR: AB00671787-01 (CAS 887895-98-9) is a chemical compound with molecular formula C20H20FN3OS and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-fluorophenyl)thiourea
Also Known As: AB00671787-01, F0667-0137, 1-(2-(5,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)-3-(3-fluorophenyl)thiourea, 1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-fluorophenyl)thiourea, 3-[2-(5,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-1-(3-fluorophenyl)thiourea
| Molecular Formula | C20H20FN3OS |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 3.81314 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1311 |
| Heavy Atoms | 26 |
| Complexity | 1029.2303 |
Chemical Identifiers
| CAS Number | 887895-98-9 |
|---|---|
| SMILES | CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=S)NC3=CC(=CC=C3)F |
Product Overview
AB00671787-01 (CAS 887895-98-9), with molecular formula C20H20FN3OS and molecular weight 369.13 g/mol. IUPAC: 1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-fluorophenyl)thiourea.
Chemical Property Profile of AB00671787-01
Property Insights of AB00671787-01
The XLogP value of 3.81314 indicates that AB00671787-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.92 Ų, AB00671787-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00671787-01 has 3 hydrogen bond donor(s) and 2 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 AB00671787-01?
The CAS number of AB00671787-01 is 887895-98-9.
What is the molecular formula of AB00671787-01?
The molecular formula of AB00671787-01 is C20H20FN3OS.
What is the molecular weight of AB00671787-01?
The molecular weight of AB00671787-01 is 369.13 g/mol.
Where can I buy AB00671787-01?
You can request a quote for AB00671787-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671787-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671787-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.