L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride
TL;DR: L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride (CAS 75106-51-3) is a chemical compound with molecular formula C18H18ClN3O4 and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[(1-nitroacridin-9-yl)amino]propanoate;hydrochloride
Also Known As: L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride, ethyl (2S)-2-[(1-nitroacridin-9-yl)amino]propanoate hydrochloride, Ethyl N-(1-nitroacridin-9-yl)-L-alaninate--hydrogen chloride (1/1)
| Molecular Formula | C18H18ClN3O4 |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 4.0815 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.09857 |
| Heavy Atoms | 26 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 75106-51-3 |
|---|---|
| SMILES | CCOC(=O)[C@H](C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl |
| InChIKey | IXMSSGXZACUVCJ-MERQFXBCSA-N |
Product Overview
L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride (CAS 75106-51-3), with molecular formula C18H18ClN3O4 and molecular weight 375.10 g/mol. IUPAC: ethyl (2S)-2-[(1-nitroacridin-9-yl)amino]propanoate;hydrochloride.
Chemical Property Profile of L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride
Property Insights of L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride
The XLogP value of 4.0815 indicates that L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride 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 L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride?
The CAS number of L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride is 75106-51-3.
What is the molecular formula of L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride?
The molecular formula of L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride is C18H18ClN3O4.
What is the molecular weight of L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride?
The molecular weight of L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride is 375.10 g/mol.
Where can I buy L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride?
You can request a quote for L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for L-Alanine, N-(1-nitro-9-acridinyl)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.