AB00686177-01
TL;DR: AB00686177-01 (CAS 710967-74-1) is a chemical compound with molecular formula C22H16ClN3O3S and molecular weight 437.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloro-6-methoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
Also Known As: AB00686177-01, F1590-0032, 5-(2-chloro-6-methoxy(3-quinolyl))-3-(2-thienyl)(2-pyrazolinyl) 2-furyl ketone, (5-(2-chloro-6-methoxyquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone, [3-(2-chloro-6-methoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
| Molecular Formula | C22H16ClN3O3S |
|---|---|
| Molecular Weight | 437.06 g/mol |
| LogP | 5.5428 |
| Topological Polar Surface Area | 67.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0601 |
| Heavy Atoms | 30 |
| Complexity | 1252.3773 |
Chemical Identifiers
| CAS Number | 710967-74-1 |
|---|---|
| SMILES | COC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)C4=CC=CO4)C5=CC=CS5 |
Product Overview
AB00686177-01 (CAS 710967-74-1), with molecular formula C22H16ClN3O3S and molecular weight 437.06 g/mol. IUPAC: [3-(2-chloro-6-methoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
Chemical Property Profile of AB00686177-01
Property Insights of AB00686177-01
The XLogP value of 5.5428 indicates that AB00686177-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686177-01. Following Lipinski's Rule of Five, AB00686177-01 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00686177-01?
The CAS number of AB00686177-01 is 710967-74-1.
What is the molecular formula of AB00686177-01?
The molecular formula of AB00686177-01 is C22H16ClN3O3S.
What is the molecular weight of AB00686177-01?
The molecular weight of AB00686177-01 is 437.06 g/mol.
Where can I buy AB00686177-01?
You can request a quote for AB00686177-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686177-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686177-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.