beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-
TL;DR: beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- (CAS 172798-59-3) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-benzamido-3-methylbut-2-enoyl)amino]propanoic acid
Also Known As: beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-, N-(2-(Benzoylamino)-3-methyl-1-oxo-2-butenyl)beta-alanine, N-[2-(benzoylamino)-3-methyl-2-butenoyl]-beta-alanine, N-(2-Benzamido-3-methylbut-2-enoyl)-beta-alanine, 3-[(2-benzamido-3-methylbut-2-enoyl)amino]propanoic acid
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 1.3012 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 560.29614 |
Chemical Identifiers
| CAS Number | 172798-59-3 |
|---|---|
| SMILES | CC(=C(C(=O)NCCC(=O)O)NC(=O)C1=CC=CC=C1)C |
Product Overview
beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- (CAS 172798-59-3), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: 3-[(2-benzamido-3-methylbut-2-enoyl)amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-
Property Insights of beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-
The XLogP value of 1.3012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-. Following Lipinski's Rule of Five, beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- has 3 hydrogen bond donor(s) and 3 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-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-?
The CAS number of beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- is 172798-59-3.
What is the molecular formula of beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-?
The molecular formula of beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- is C15H18N2O4.
What is the molecular weight of beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-?
The molecular weight of beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- is 290.13 g/mol.
Where can I buy beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-?
You can request a quote for beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- 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-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.