(4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate
TL;DR: (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate (CAS 313503-09-2) is a chemical compound with molecular formula C28H32O3 and molecular weight 416.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-phenylmethoxyphenyl) 3,5-ditert-butylbenzoate
Also Known As: 4-(benzyloxy)phenyl 3,5-di-tert-butylbenzoate, (4-phenylmethoxyphenyl) 3,5-ditert-butylbenzoate, 4-(benzyloxy)phenyl 3,5-ditert-butylbenzoate, 4-(phenylmethoxy)phenyl 3,5-bis(tert-butyl)benzoate, 4-(BENZYLOXY)PHENYL 3,5-DI(TERT-BUTYL)BENZOATE
| Molecular Formula | C28H32O3 |
|---|---|
| Molecular Weight | 416.24 g/mol |
| LogP | 7.0798 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.23514 |
| Heavy Atoms | 31 |
| Complexity | 988.343 |
Chemical Identifiers
| CAS Number | 313503-09-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)C(C)(C)C |
Product Overview
(4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate (CAS 313503-09-2), with molecular formula C28H32O3 and molecular weight 416.24 g/mol. IUPAC: (4-phenylmethoxyphenyl) 3,5-ditert-butylbenzoate.
Chemical Property Profile of (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate
Property Insights of (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate
The XLogP value of 7.0798 indicates that (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate has 0 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 (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate?
The CAS number of (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate is 313503-09-2.
What is the molecular formula of (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate?
The molecular formula of (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate is C28H32O3.
What is the molecular weight of (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate?
The molecular weight of (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate is 416.24 g/mol.
Where can I buy (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate?
You can request a quote for (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Phenylmethoxyphenyl) 3,5-ditert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.