4-(Benzyloxy)phenyl 3-methylbenzoate
TL;DR: 4-(Benzyloxy)phenyl 3-methylbenzoate (CAS 5195-07-3) is a chemical compound with molecular formula C21H18O3 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-phenylmethoxyphenyl) 3-methylbenzoate
Also Known As: 4-(benzyloxy)phenyl 3-methylbenzoate, (4-phenylmethoxyphenyl) 3-methylbenzoate, m-Toluic acid, 4-benzyloxyphenyl ester, 4-(phenylmethoxy)phenyl 3-methylbenzoate, m-Toluylic acid, 4-benzyloxyphenyl ester
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 5195-07-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3 |
| InChIKey | LLRLJEAKKLKYFO-UHFFFAOYSA-N |
Product Overview
4-(Benzyloxy)phenyl 3-methylbenzoate (CAS 5195-07-3), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: (4-phenylmethoxyphenyl) 3-methylbenzoate.
Chemical Property Profile of 4-(Benzyloxy)phenyl 3-methylbenzoate
Property Insights of 4-(Benzyloxy)phenyl 3-methylbenzoate
The XLogP value of 5.2 indicates that 4-(Benzyloxy)phenyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(Benzyloxy)phenyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)phenyl 3-methylbenzoate 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-(Benzyloxy)phenyl 3-methylbenzoate?
The CAS number of 4-(Benzyloxy)phenyl 3-methylbenzoate is 5195-07-3.
What is the molecular formula of 4-(Benzyloxy)phenyl 3-methylbenzoate?
The molecular formula of 4-(Benzyloxy)phenyl 3-methylbenzoate is C21H18O3.
What is the molecular weight of 4-(Benzyloxy)phenyl 3-methylbenzoate?
The molecular weight of 4-(Benzyloxy)phenyl 3-methylbenzoate is 318.13 g/mol.
Where can I buy 4-(Benzyloxy)phenyl 3-methylbenzoate?
You can request a quote for 4-(Benzyloxy)phenyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)phenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)phenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.