2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid
TL;DR: 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid (CAS 6285-20-7) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-(hexylamino)-4-oxobutanoic acid
Also Known As: N~2~-Benzyl-N-hexylasparagine, 2-(benzylamino)-4-(hexylamino)-4-oxobutanoic acid, 2-(benzylamino)-3-(hexylcarbamoyl)propanoic Acid
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 2.316 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 448.47708 |
Chemical Identifiers
| CAS Number | 6285-20-7 |
|---|---|
| SMILES | CCCCCCNC(=O)CC(C(=O)O)NCC1=CC=CC=C1 |
Product Overview
2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid (CAS 6285-20-7), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: 2-(benzylamino)-4-(hexylamino)-4-oxobutanoic acid.
Chemical Property Profile of 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid
Property Insights of 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid
The XLogP value of 2.316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 3 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 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid?
The CAS number of 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid is 6285-20-7.
What is the molecular formula of 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid?
The molecular formula of 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid is C17H26N2O3.
What is the molecular weight of 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid?
The molecular weight of 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid is 306.19 g/mol.
Where can I buy 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid?
You can request a quote for 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4-(hexylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.