ChemDiv3_008899
TL;DR: ChemDiv3_008899 (CAS 900280-66-2) is a chemical compound with molecular formula C22H23ClFN3O3 and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: ChemDiv3_008899, IDI1_026809, BRD-A09569706-001-01-7, (1r,3r)-3-(5-chloro-4-((4-fluorobenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid, 3-(5-CHLORO-4-{[(4-FLUOROPHENYL)METHYL]AMINO}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTANE-1-CARBOXYLIC ACID
| Molecular Formula | C22H23ClFN3O3 |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 4.028 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1412 |
| Heavy Atoms | 30 |
| Complexity | 1054.2877 |
Chemical Identifiers
| CAS Number | 900280-66-2 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=C(C=C5)F)Cl)C(=O)O |
Product Overview
ChemDiv3_008899 (CAS 900280-66-2), with molecular formula C22H23ClFN3O3 and molecular weight 431.14 g/mol. IUPAC: 3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid.
Chemical Property Profile of ChemDiv3_008899
Property Insights of ChemDiv3_008899
The XLogP value of 4.028 indicates that ChemDiv3_008899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008899. Following Lipinski's Rule of Five, ChemDiv3_008899 has 2 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 ChemDiv3_008899?
The CAS number of ChemDiv3_008899 is 900280-66-2.
What is the molecular formula of ChemDiv3_008899?
The molecular formula of ChemDiv3_008899 is C22H23ClFN3O3.
What is the molecular weight of ChemDiv3_008899?
The molecular weight of ChemDiv3_008899 is 431.14 g/mol.
Where can I buy ChemDiv3_008899?
You can request a quote for ChemDiv3_008899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008899?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.