Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester
TL;DR: Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester (CAS 62417-22-5) is a chemical compound with molecular formula C21H41NO3 and molecular weight 355.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(hexadecylamino)-4-oxobutanoate
Also Known As: Methyl-N-hexadecylsuccinamat, methyl N-hexadecylsuccinamate, methyl 4-(hexadecylamino)-4-oxobutanoate, Methyl 3-(hexadecylcarbamoyl)propanoate, Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester
| Molecular Formula | C21H41NO3 |
|---|---|
| Molecular Weight | 355.31 g/mol |
| LogP | 5.5371 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 355.30865 |
| Heavy Atoms | 25 |
| Complexity | 318.26303 |
Chemical Identifiers
| CAS Number | 62417-22-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OC |
Product Overview
Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester (CAS 62417-22-5), with molecular formula C21H41NO3 and molecular weight 355.31 g/mol. IUPAC: methyl 4-(hexadecylamino)-4-oxobutanoate.
Chemical Property Profile of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester
Property Insights of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester
The XLogP value of 5.5371 indicates that Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester?
The CAS number of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester is 62417-22-5.
What is the molecular formula of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester?
The molecular formula of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester is C21H41NO3.
What is the molecular weight of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester?
The molecular weight of Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester is 355.31 g/mol.
Where can I buy Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester?
You can request a quote for Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.