A-101
TL;DR: A-101 (CAS 90557-97-4) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid
Also Known As: A-101 Solution, A-101 Topical Solution, A-101, N-Phenylacetoaminomethylene-DL-p-nitrophenylalanine, A 101
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 90557-97-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NCN[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | MALANEHOOMRDSZ-INIZCTEOSA-N |
Product Overview
A-101 (CAS 90557-97-4), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: (2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid.
Chemical Property Profile of A-101
Property Insights of A-101
The XLogP value of -0.1 indicates that A-101 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A-101. Following Lipinski's Rule of Five, A-101 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 A-101?
The CAS number of A-101 is 90557-97-4.
What is the molecular formula of A-101?
The molecular formula of A-101 is C18H19N3O5.
What is the molecular weight of A-101?
The molecular weight of A-101 is 357.13 g/mol.
Where can I buy A-101?
You can request a quote for A-101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-101?
Yes, KEHONG BIO provides custom synthesis services for A-101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.