N-(4-Bromobenzoyl)-beta-alanine
TL;DR: N-(4-Bromobenzoyl)-beta-alanine (CAS 310457-07-9) is a chemical compound with molecular formula C10H10BrNO3 and molecular weight 270.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromobenzoyl)amino]propanoic acid
Also Known As: 3-[(4-bromophenyl)formamido]propanoic acid, 3-[(4-bromobenzoyl)amino]propanoic acid, N-(4-Bromobenzoyl)-beta-alanine, N-(4-Bromobenzoyl)-I(2)-alanine, N-(4-Bromobenzoyl)-beta-alanine #
| Molecular Formula | C10H10BrNO3 |
|---|---|
| Molecular Weight | 270.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.9844 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 310457-07-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCC(=O)O)Br |
| InChIKey | AWXOXDFIMZLYSX-UHFFFAOYSA-N |
Product Overview
N-(4-Bromobenzoyl)-beta-alanine (CAS 310457-07-9), with molecular formula C10H10BrNO3 and molecular weight 270.98 g/mol. IUPAC: 3-[(4-bromobenzoyl)amino]propanoic acid.
Chemical Property Profile of N-(4-Bromobenzoyl)-beta-alanine
Property Insights of N-(4-Bromobenzoyl)-beta-alanine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Bromobenzoyl)-beta-alanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Bromobenzoyl)-beta-alanine. Following Lipinski's Rule of Five, N-(4-Bromobenzoyl)-beta-alanine has 2 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 N-(4-Bromobenzoyl)-beta-alanine?
The CAS number of N-(4-Bromobenzoyl)-beta-alanine is 310457-07-9.
What is the molecular formula of N-(4-Bromobenzoyl)-beta-alanine?
The molecular formula of N-(4-Bromobenzoyl)-beta-alanine is C10H10BrNO3.
What is the molecular weight of N-(4-Bromobenzoyl)-beta-alanine?
The molecular weight of N-(4-Bromobenzoyl)-beta-alanine is 270.98 g/mol.
Where can I buy N-(4-Bromobenzoyl)-beta-alanine?
You can request a quote for N-(4-Bromobenzoyl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Bromobenzoyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromobenzoyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.