![Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester structure](/static/products/7333/7333-86-0.webp)
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
TL;DR: Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester (CAS 7333-86-0) is a chemical compound with molecular formula C27H45NO3 and molecular weight 431.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(octadecylcarbamoyl)benzoate
Also Known As: methyl 4-(octadecylcarbamoyl)benzoate, Methyl N-octadecylterephthalamate, Ethyl 2,5-dichlorobenzoate, methyl n-octadecyl terephthalamate, Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
| Molecular Formula | C27H45NO3 |
|---|---|
| Molecular Weight | 431.34 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 431.33994 |
| Heavy Atoms | 31 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 7333-86-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)OC |
| InChIKey | FGGAQLDNXCMZJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester (CAS 7333-86-0), with molecular formula C27H45NO3 and molecular weight 431.34 g/mol. IUPAC: methyl 4-(octadecylcarbamoyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
Property Insights of Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
The XLogP value of 8.8 indicates that Benzoic acid, 4-[(octadecylamino)carbonyl]-, 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, Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[(octadecylamino)carbonyl]-, 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 Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester?
The CAS number of Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester is 7333-86-0.
What is the molecular formula of Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester?
The molecular formula of Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester is C27H45NO3.
What is the molecular weight of Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester?
The molecular weight of Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester is 431.34 g/mol.
Where can I buy Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester?
You can request a quote for Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.