N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine
TL;DR: N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine (CAS 1031240-05-7) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-4-oxo-3-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine, 4-anilino-4-oxo-3-(pyridin-3-ylmethylamino)butanoic acid, 3-(phenylcarbamoyl)-3-(pyridin-3-ylmethylamino)propanoic Acid, 4-oxo-4-(phenylamino)-3-((pyridin-3-ylmethyl)amino)butanoic acid, 3-(PHENYLCARBAMOYL)-3-[(PYRIDIN-3-YLMETHYL)AMINO]PROPANOIC ACID
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 1.6532 |
| Topological Polar Surface Area | 91.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 617.04785 |
Chemical Identifiers
| CAS Number | 1031240-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NCC2=CN=CC=C2 |
Product Overview
N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine (CAS 1031240-05-7), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 4-anilino-4-oxo-3-(pyridin-3-ylmethylamino)butanoic acid.
Chemical Property Profile of N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine
Property Insights of N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine
The XLogP value of 1.6532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine. The TPSA of 91.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine. Following Lipinski's Rule of Five, N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine has 3 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 N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine?
The CAS number of N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine is 1031240-05-7.
What is the molecular formula of N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine?
The molecular formula of N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine is C16H17N3O3.
What is the molecular weight of N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine?
The molecular weight of N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine is 299.13 g/mol.
Where can I buy N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine?
You can request a quote for N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-N~2~-(pyridin-3-ylmethyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.