Benzoic acid, 4-butoxy-, 4-cyanophenyl ester
TL;DR: Benzoic acid, 4-butoxy-, 4-cyanophenyl ester (CAS 54887-92-2) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-butoxybenzoate
Also Known As: ChemDiv1_028283, MixCom6_000475, (4-cyanophenyl) 4-butoxybenzoate, p-Butoxybenzoicacidp-cyanophenylester, 4-CYANOPHENYL 4-BUTOXYBENZOATE
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.95638 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 654.2268 |
Chemical Identifiers
| CAS Number | 54887-92-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
Product Overview
Benzoic acid, 4-butoxy-, 4-cyanophenyl ester (CAS 54887-92-2), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: (4-cyanophenyl) 4-butoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-butoxy-, 4-cyanophenyl ester
Property Insights of Benzoic acid, 4-butoxy-, 4-cyanophenyl ester
The XLogP value of 3.95638 indicates that Benzoic acid, 4-butoxy-, 4-cyanophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, Benzoic acid, 4-butoxy-, 4-cyanophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-butoxy-, 4-cyanophenyl ester has 0 hydrogen bond donor(s) and 4 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 Benzoic acid, 4-butoxy-, 4-cyanophenyl ester?
The CAS number of Benzoic acid, 4-butoxy-, 4-cyanophenyl ester is 54887-92-2.
What is the molecular formula of Benzoic acid, 4-butoxy-, 4-cyanophenyl ester?
The molecular formula of Benzoic acid, 4-butoxy-, 4-cyanophenyl ester is C18H17NO3.
What is the molecular weight of Benzoic acid, 4-butoxy-, 4-cyanophenyl ester?
The molecular weight of Benzoic acid, 4-butoxy-, 4-cyanophenyl ester is 295.12 g/mol.
Where can I buy Benzoic acid, 4-butoxy-, 4-cyanophenyl ester?
You can request a quote for Benzoic acid, 4-butoxy-, 4-cyanophenyl 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-butoxy-, 4-cyanophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-butoxy-, 4-cyanophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.