A2878/0121295
TL;DR: A2878/0121295 (CAS 488844-06-0) is a chemical compound with molecular formula C22H20ClF3N6O3S and molecular weight 540.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A2878/0121295, 2-(4-((2-chloro-5-(trifluoromethyl)phenyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL}PIPERAZINO)-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-({[2-chloro-5-(trifluoromethyl)phenyl]amino}thioxomethyl)piperazinyl]-8-e thyl-5-oxo-8-hydropyridino[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C22H20ClF3N6O3S |
|---|---|
| Molecular Weight | 540.10 g/mol |
| LogP | 3.7008 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.0958 |
| Heavy Atoms | 36 |
| Complexity | 1406.2646 |
Chemical Identifiers
| CAS Number | 488844-06-0 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O |
Product Overview
A2878/0121295 (CAS 488844-06-0), with molecular formula C22H20ClF3N6O3S and molecular weight 540.10 g/mol. IUPAC: 2-[4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A2878/0121295
Property Insights of A2878/0121295
The XLogP value of 3.7008 indicates that A2878/0121295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A2878/0121295. Following Lipinski's Rule of Five, A2878/0121295 has 2 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 A2878/0121295?
The CAS number of A2878/0121295 is 488844-06-0.
What is the molecular formula of A2878/0121295?
The molecular formula of A2878/0121295 is C22H20ClF3N6O3S.
What is the molecular weight of A2878/0121295?
The molecular weight of A2878/0121295 is 540.10 g/mol.
Where can I buy A2878/0121295?
You can request a quote for A2878/0121295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2878/0121295?
Yes, KEHONG BIO provides custom synthesis services for A2878/0121295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.