4-Iodobutyl benzoate
TL;DR: 4-Iodobutyl benzoate (CAS 19178-84-8) is a chemical compound with molecular formula C11H13IO2 and molecular weight 304.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodobutyl benzoate
Also Known As: 4-iodobutyl benzoate, 4-iodobutylbenzoate, chloromethylphenylsulfide, 4-iodo-1-(benzoyloxy)butane, Benzoic acid 4-iodobutyl ester
| Molecular Formula | C11H13IO2 |
|---|---|
| Molecular Weight | 304.00 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.99603 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 19178-84-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCI |
| InChIKey | VVPUIKNICYCXJZ-UHFFFAOYSA-N |
Product Overview
4-Iodobutyl benzoate (CAS 19178-84-8), with molecular formula C11H13IO2 and molecular weight 304.00 g/mol. IUPAC: 4-iodobutyl benzoate.
Chemical Property Profile of 4-Iodobutyl benzoate
Property Insights of 4-Iodobutyl benzoate
The XLogP value of 4.6 indicates that 4-Iodobutyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Iodobutyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodobutyl benzoate has 0 hydrogen bond donor(s) and 2 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 4-Iodobutyl benzoate?
The CAS number of 4-Iodobutyl benzoate is 19178-84-8.
What is the molecular formula of 4-Iodobutyl benzoate?
The molecular formula of 4-Iodobutyl benzoate is C11H13IO2.
What is the molecular weight of 4-Iodobutyl benzoate?
The molecular weight of 4-Iodobutyl benzoate is 304.00 g/mol.
Where can I buy 4-Iodobutyl benzoate?
You can request a quote for 4-Iodobutyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodobutyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodobutyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.