D-Alanine 4-nitroanilide hydrochloride
TL;DR: D-Alanine 4-nitroanilide hydrochloride (CAS 81086-57-9) is a chemical compound with molecular formula C9H12ClN3O3 and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(4-nitrophenyl)propanamide;hydrochloride
Also Known As: D-Alanine 4-nitroanilide hydrochloride, H-D-ALA-PNA HCL, H-D-Ala-pNA . HCl, H-ALA-PNA HCL, H-Ala-pNA-HCl
| Molecular Formula | C9H12ClN3O3 |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 1.3023 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.05672 |
| Heavy Atoms | 16 |
| Complexity | 378.0905 |
Chemical Identifiers
| CAS Number | 81086-57-9 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N.Cl |
Product Overview
D-Alanine 4-nitroanilide hydrochloride (CAS 81086-57-9), with molecular formula C9H12ClN3O3 and molecular weight 245.06 g/mol. IUPAC: 2-amino-N-(4-nitrophenyl)propanamide;hydrochloride.
Chemical Property Profile of D-Alanine 4-nitroanilide hydrochloride
Property Insights of D-Alanine 4-nitroanilide hydrochloride
The XLogP value of 1.3023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Alanine 4-nitroanilide hydrochloride. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Alanine 4-nitroanilide hydrochloride. Following Lipinski's Rule of Five, D-Alanine 4-nitroanilide hydrochloride has 2 hydrogen bond donor(s) and 4 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 D-Alanine 4-nitroanilide hydrochloride?
The CAS number of D-Alanine 4-nitroanilide hydrochloride is 81086-57-9.
What is the molecular formula of D-Alanine 4-nitroanilide hydrochloride?
The molecular formula of D-Alanine 4-nitroanilide hydrochloride is C9H12ClN3O3.
What is the molecular weight of D-Alanine 4-nitroanilide hydrochloride?
The molecular weight of D-Alanine 4-nitroanilide hydrochloride is 245.06 g/mol.
Where can I buy D-Alanine 4-nitroanilide hydrochloride?
You can request a quote for D-Alanine 4-nitroanilide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Alanine 4-nitroanilide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for D-Alanine 4-nitroanilide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.