2-Phenylethyl 3-iodo-4-methoxybenzoate
TL;DR: 2-Phenylethyl 3-iodo-4-methoxybenzoate (CAS 815651-45-7) is a chemical compound with molecular formula C16H15IO3 and molecular weight 382.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 3-iodo-4-methoxybenzoate
Also Known As: phenethyl 3-iodo-4-methoxybenzoate, Phenethyl 3-iodo-4-methoxy-benzoate
| Molecular Formula | C16H15IO3 |
|---|---|
| Molecular Weight | 382.01 g/mol |
| LogP | 3.6993 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.0066 |
| Heavy Atoms | 20 |
| Complexity | 581.53076 |
Chemical Identifiers
| CAS Number | 815651-45-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCCC2=CC=CC=C2)I |
Product Overview
2-Phenylethyl 3-iodo-4-methoxybenzoate (CAS 815651-45-7), with molecular formula C16H15IO3 and molecular weight 382.01 g/mol. IUPAC: 2-phenylethyl 3-iodo-4-methoxybenzoate.
Chemical Property Profile of 2-Phenylethyl 3-iodo-4-methoxybenzoate
Property Insights of 2-Phenylethyl 3-iodo-4-methoxybenzoate
The XLogP value of 3.6993 indicates that 2-Phenylethyl 3-iodo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2-Phenylethyl 3-iodo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl 3-iodo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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 2-Phenylethyl 3-iodo-4-methoxybenzoate?
The CAS number of 2-Phenylethyl 3-iodo-4-methoxybenzoate is 815651-45-7.
What is the molecular formula of 2-Phenylethyl 3-iodo-4-methoxybenzoate?
The molecular formula of 2-Phenylethyl 3-iodo-4-methoxybenzoate is C16H15IO3.
What is the molecular weight of 2-Phenylethyl 3-iodo-4-methoxybenzoate?
The molecular weight of 2-Phenylethyl 3-iodo-4-methoxybenzoate is 382.01 g/mol.
Where can I buy 2-Phenylethyl 3-iodo-4-methoxybenzoate?
You can request a quote for 2-Phenylethyl 3-iodo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl 3-iodo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl 3-iodo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.