Beminafil ethanolamine
TL;DR: Beminafil ethanolamine (CAS 566906-51-2) is a chemical compound with molecular formula C27H31ClN4O4S and molecular weight 542.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid
Also Known As: Beminafil ethanolamine, Cyclohexanecarboxylic acid, 4-(4-(((3-chloro-4-methoxyphenyl)methyl)amino)(1)benzothieno(2,3-d)pyrimidin-2-yl)-, trans-, compd. with 2-aminoethanol (1:1), trans-4-(4-(3-Chloro-4-methoxybenzylamino)benzo(4,5)-thieno(2,3-d)pyrimidin-2-yl)cyclohexanecarboxylic acid, ethanolamine salt
| Molecular Formula | C27H31ClN4O4S |
|---|---|
| Molecular Weight | 542.18 g/mol |
| LogP | 5.4144 |
| Topological Polar Surface Area | 130.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.1755 |
| Heavy Atoms | 37 |
| Complexity | 1369.5397 |
Chemical Identifiers
| CAS Number | 566906-51-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=C3C4=CC=CC=C4SC3=NC(=N2)C5CCC(CC5)C(=O)O)Cl.C(CO)N |
Product Overview
Beminafil ethanolamine (CAS 566906-51-2), with molecular formula C27H31ClN4O4S and molecular weight 542.18 g/mol. IUPAC: 2-aminoethanol;4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of Beminafil ethanolamine
Property Insights of Beminafil ethanolamine
The XLogP value of 5.4144 indicates that Beminafil ethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Beminafil ethanolamine. Following Lipinski's Rule of Five, Beminafil ethanolamine has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Beminafil ethanolamine?
The CAS number of Beminafil ethanolamine is 566906-51-2.
What is the molecular formula of Beminafil ethanolamine?
The molecular formula of Beminafil ethanolamine is C27H31ClN4O4S.
What is the molecular weight of Beminafil ethanolamine?
The molecular weight of Beminafil ethanolamine is 542.18 g/mol.
Where can I buy Beminafil ethanolamine?
You can request a quote for Beminafil ethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beminafil ethanolamine?
Yes, KEHONG BIO provides custom synthesis services for Beminafil ethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.