beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate
TL;DR: beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate (CAS 79565-84-7) is a chemical compound with molecular formula C24H27ClN2O7 and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(N-benzoyl-3-chloroanilino)propanoyloxy]ethyl-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate, N-Benzoyl-N-(m-chlorophenyl)-beta-alanine 2-(dimethylamino)ethyl ester maleate, 2-[3-(N-benzoyl-3-chloroanilino)propanoyloxy]ethyl-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1079600
| Molecular Formula | C24H27ClN2O7 |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 0.4417 |
| Topological Polar Surface Area | 128.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.15067 |
| Heavy Atoms | 34 |
| Complexity | 977.8258 |
Chemical Identifiers
| CAS Number | 79565-84-7 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate (CAS 79565-84-7), with molecular formula C24H27ClN2O7 and molecular weight 490.15 g/mol. IUPAC: 2-[3-(N-benzoyl-3-chloroanilino)propanoyloxy]ethyl-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate
Property Insights of beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate
The XLogP value of 0.4417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate. The TPSA of 128.48 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate. Following Lipinski's Rule of Five, beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate has 2 hydrogen bond donor(s) and 6 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 beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate?
The CAS number of beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate is 79565-84-7.
What is the molecular formula of beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate?
The molecular formula of beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate is C24H27ClN2O7.
What is the molecular weight of beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate?
The molecular weight of beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate is 490.15 g/mol.
Where can I buy beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate?
You can request a quote for beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.