Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester
TL;DR: Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester (CAS 40438-59-3) is a chemical compound with molecular formula C21H31O2P and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-dicyclohexylphosphanylbenzoate
Also Known As: ethyl 4-dicyclohexylphosphanylbenzoate, Ethyl 4-(dicyclohexylphosphanyl)benzoate, Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester, Benzoic acid,4-(dicyclohexylphosphino)-ethyl ester
| Molecular Formula | C21H31O2P |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.20618 |
| Heavy Atoms | 24 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 40438-59-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)P(C2CCCCC2)C3CCCCC3 |
| InChIKey | OJDYSOKZYBBQEP-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester (CAS 40438-59-3), with molecular formula C21H31O2P and molecular weight 346.21 g/mol. IUPAC: ethyl 4-dicyclohexylphosphanylbenzoate.
Chemical Property Profile of Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester
Property Insights of Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester
The XLogP value of 5.3 indicates that Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester has 0 hydrogen bond donor(s) and 2 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-(dicyclohexylphosphino)-, ethyl ester?
The CAS number of Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester is 40438-59-3.
What is the molecular formula of Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester is C21H31O2P.
What is the molecular weight of Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester is 346.21 g/mol.
Where can I buy Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl 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-(dicyclohexylphosphino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(dicyclohexylphosphino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.