Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)
TL;DR: Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) (CAS 100482-29-9) is a chemical compound with molecular formula C20H31NO4 and molecular weight 349.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate
Also Known As: Ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate, ethyl 4-[(diethylcarbamoyl)oxy]-3,5-dipropylbenzoate, 3,5-Dipropyl-4-hydroxybenzoic acid ethyl ester diethylcarbamate (ester), ETHYL 4-(DIETHYLCARBAMOYLOXY)-3,5-DIPROPYL-BENZOATE, BENZOIC ACID, 3,5-DIPROPYL-4-HYDROXY-, ETHYL ESTER, DIETHYLCARBAMATE (ester)
| Molecular Formula | C20H31NO4 |
|---|---|
| Molecular Weight | 349.23 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 349.2253 |
| Heavy Atoms | 25 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 100482-29-9 |
|---|---|
| SMILES | CCCC1=CC(=CC(=C1OC(=O)N(CC)CC)CCC)C(=O)OCC |
| InChIKey | PCNNKDOJZBGEEW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) (CAS 100482-29-9), with molecular formula C20H31NO4 and molecular weight 349.23 g/mol. IUPAC: ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate.
Chemical Property Profile of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)
Property Insights of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)
The XLogP value of 5.3 indicates that Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) has 0 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 Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)?
The CAS number of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) is 100482-29-9.
What is the molecular formula of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)?
The molecular formula of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) is C20H31NO4.
What is the molecular weight of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)?
The molecular weight of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) is 349.23 g/mol.
Where can I buy Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)?
You can request a quote for Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (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, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.