beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride
TL;DR: beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride (CAS 75106-56-8) is a chemical compound with molecular formula C16H14ClN3O4 and molecular weight 347.07 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;hydrochloride
Also Known As: beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride, 3-[(1-nitroacridin-9-yl)amino]propanoic acid hydrochloride, 3-[(1-nitroacridin-9-yl)amino]propanoic acid,hydrochloride, N-(1-Nitroacridin-9-yl)-beta-alanine--hydrogen chloride (1/1)
| Molecular Formula | C16H14ClN3O4 |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 3.6046 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0673 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 75106-56-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC(=O)O.Cl |
| InChIKey | BCYIIVUKLHSBLA-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride (CAS 75106-56-8), with molecular formula C16H14ClN3O4 and molecular weight 347.07 g/mol. IUPAC: 3-[(1-nitroacridin-9-yl)amino]propanoic acid;hydrochloride.
Chemical Property Profile of beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride
Property Insights of beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride
The XLogP value of 3.6046 indicates that beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride 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)-, monohydrochloride. Following Lipinski's Rule of Five, beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride has 3 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)-, monohydrochloride?
The CAS number of beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride is 75106-56-8.
What is the molecular formula of beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride?
The molecular formula of beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride is C16H14ClN3O4.
What is the molecular weight of beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride?
The molecular weight of beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride is 347.07 g/mol.
Where can I buy beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride?
You can request a quote for beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride 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)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(1-nitro-9-acridinyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.