A2666/0113582
TL;DR: A2666/0113582 (CAS 438623-35-9) is a chemical compound with molecular formula C22H21BrN6O4S and molecular weight 544.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A2666/0113582, 2-(4-{[(2-bromobenzoyl)amino]carbothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-((2-bromobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(2-bromophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(2-BROMOPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-8-ETHYL-5-OXO-5H,8H-PYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
| Molecular Formula | C22H21BrN6O4S |
|---|---|
| Molecular Weight | 544.05 g/mol |
| LogP | 2.109 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.05286 |
| Heavy Atoms | 34 |
| Complexity | 1352.9645 |
Chemical Identifiers
| CAS Number | 438623-35-9 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4Br)C(=O)O |
Product Overview
A2666/0113582 (CAS 438623-35-9), with molecular formula C22H21BrN6O4S and molecular weight 544.05 g/mol. IUPAC: 2-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A2666/0113582
Property Insights of A2666/0113582
The XLogP value of 2.109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2666/0113582. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A2666/0113582. Following Lipinski's Rule of Five, A2666/0113582 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2666/0113582?
The CAS number of A2666/0113582 is 438623-35-9.
What is the molecular formula of A2666/0113582?
The molecular formula of A2666/0113582 is C22H21BrN6O4S.
What is the molecular weight of A2666/0113582?
The molecular weight of A2666/0113582 is 544.05 g/mol.
Where can I buy A2666/0113582?
You can request a quote for A2666/0113582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2666/0113582?
Yes, KEHONG BIO provides custom synthesis services for A2666/0113582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.