Methyl 3-amino-4-(hexadecyloxy)benzoate
TL;DR: Methyl 3-amino-4-(hexadecyloxy)benzoate (CAS 25118-23-4) is a chemical compound with molecular formula C24H41NO3 and molecular weight 391.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-hexadecoxybenzoate
Also Known As: methyl 3-amino-4-(hexadecyloxy)benzoate, methyl 3-amino-4-hexadecoxybenzoate, METHYL 3-AMINO-4-HEXADECYLOXYBENZOATE, 3-Nitro-4-hexadecyloxy-benzoesaeuremethylester, Benzoicacid, 3-amino-4-(hexadecyloxy)-, methyl ester
| Molecular Formula | C24H41NO3 |
|---|---|
| Molecular Weight | 391.31 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 391.30865 |
| Heavy Atoms | 28 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 25118-23-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)N |
| InChIKey | PICGZONBJRKQLK-UHFFFAOYSA-N |
Product Overview
Methyl 3-amino-4-(hexadecyloxy)benzoate (CAS 25118-23-4), with molecular formula C24H41NO3 and molecular weight 391.31 g/mol. IUPAC: methyl 3-amino-4-hexadecoxybenzoate.
Chemical Property Profile of Methyl 3-amino-4-(hexadecyloxy)benzoate
Property Insights of Methyl 3-amino-4-(hexadecyloxy)benzoate
The XLogP value of 8.8 indicates that Methyl 3-amino-4-(hexadecyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-4-(hexadecyloxy)benzoate. Following Lipinski's Rule of Five, Methyl 3-amino-4-(hexadecyloxy)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-amino-4-(hexadecyloxy)benzoate?
The CAS number of Methyl 3-amino-4-(hexadecyloxy)benzoate is 25118-23-4.
What is the molecular formula of Methyl 3-amino-4-(hexadecyloxy)benzoate?
The molecular formula of Methyl 3-amino-4-(hexadecyloxy)benzoate is C24H41NO3.
What is the molecular weight of Methyl 3-amino-4-(hexadecyloxy)benzoate?
The molecular weight of Methyl 3-amino-4-(hexadecyloxy)benzoate is 391.31 g/mol.
Where can I buy Methyl 3-amino-4-(hexadecyloxy)benzoate?
You can request a quote for Methyl 3-amino-4-(hexadecyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-4-(hexadecyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-(hexadecyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.