beta-Alanine, N-(1-nitro-9-acridinyl)-
TL;DR: beta-Alanine, N-(1-nitro-9-acridinyl)- (CAS 81483-74-1) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-nitroacridin-9-yl)amino]propanoic acid
Also Known As: beta-Alanine, N-(1-nitro-9-acridinyl)-, N-(1-Nitro-9-acridinyl)-beta-Alanine, N-(1-Nitroacridin-9-yl)-beta-alanine, 3-[(1-nitroacridin-9-yl)amino]propanoic acid
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 81483-74-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC(=O)O |
| InChIKey | NEQCPJSGSSBRIH-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(1-nitro-9-acridinyl)- (CAS 81483-74-1), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 3-[(1-nitroacridin-9-yl)amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(1-nitro-9-acridinyl)-
Property Insights of beta-Alanine, N-(1-nitro-9-acridinyl)-
The XLogP value of 3.4 indicates that beta-Alanine, N-(1-nitro-9-acridinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(1-nitro-9-acridinyl)-. Following Lipinski's Rule of Five, beta-Alanine, N-(1-nitro-9-acridinyl)- 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-(1-nitro-9-acridinyl)-?
The CAS number of beta-Alanine, N-(1-nitro-9-acridinyl)- is 81483-74-1.
What is the molecular formula of beta-Alanine, N-(1-nitro-9-acridinyl)-?
The molecular formula of beta-Alanine, N-(1-nitro-9-acridinyl)- is C16H13N3O4.
What is the molecular weight of beta-Alanine, N-(1-nitro-9-acridinyl)-?
The molecular weight of beta-Alanine, N-(1-nitro-9-acridinyl)- is 311.09 g/mol.
Where can I buy beta-Alanine, N-(1-nitro-9-acridinyl)-?
You can request a quote for beta-Alanine, N-(1-nitro-9-acridinyl)- 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-(1-nitro-9-acridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(1-nitro-9-acridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.