beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-
TL;DR: beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- (CAS 4010-58-6) is a chemical compound with molecular formula C11H12Cl2N2O3 and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[carbamoyl-[(3,4-dichlorophenyl)methyl]amino]propanoic acid
Also Known As: beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-, N-Carbamoyl-N-(3,4-dichlorobenzyl)-beta-alanine, Methyl 3-((phenylmethyl)amino)isobutyrate, 3-(1-(3,4-dichlorobenzyl)ureido)propanoic acid, N-Carbamoyl-N-[(3,4-dichlorophenyl)methyl]-beta-alanine
| Molecular Formula | C11H12Cl2N2O3 |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 2.3488 |
| Topological Polar Surface Area | 83.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.0225 |
| Heavy Atoms | 18 |
| Complexity | 465.6016 |
Chemical Identifiers
| CAS Number | 4010-58-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN(CCC(=O)O)C(=O)N)Cl)Cl |
Product Overview
beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- (CAS 4010-58-6), with molecular formula C11H12Cl2N2O3 and molecular weight 290.02 g/mol. IUPAC: 3-[carbamoyl-[(3,4-dichlorophenyl)methyl]amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-
Property Insights of beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-
The XLogP value of 2.3488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-. The TPSA of 83.63 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-. Following Lipinski's Rule of Five, beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- has 2 hydrogen bond donor(s) and 2 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-carbamoyl-N-(3,4-dichlorobenzyl)-?
The CAS number of beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- is 4010-58-6.
What is the molecular formula of beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-?
The molecular formula of beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- is C11H12Cl2N2O3.
What is the molecular weight of beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-?
The molecular weight of beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- is 290.02 g/mol.
Where can I buy beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)-?
You can request a quote for beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- 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-carbamoyl-N-(3,4-dichlorobenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-carbamoyl-N-(3,4-dichlorobenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.