Heptan-3-yl 4-methoxybenzoate
TL;DR: Heptan-3-yl 4-methoxybenzoate (CAS 1028-49-5) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptan-3-yl 4-methoxybenzoate
Also Known As: heptan-3-yl 4-methoxybenzoate
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 1028-49-5 |
|---|---|
| SMILES | CCCCC(CC)OC(=O)C1=CC=C(C=C1)OC |
| InChIKey | CYMXXLBPFSZFQS-UHFFFAOYSA-N |
Product Overview
Heptan-3-yl 4-methoxybenzoate (CAS 1028-49-5), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: heptan-3-yl 4-methoxybenzoate.
Chemical Property Profile of Heptan-3-yl 4-methoxybenzoate
Property Insights of Heptan-3-yl 4-methoxybenzoate
The XLogP value of 4.5 indicates that Heptan-3-yl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Heptan-3-yl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptan-3-yl 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 Heptan-3-yl 4-methoxybenzoate?
The CAS number of Heptan-3-yl 4-methoxybenzoate is 1028-49-5.
What is the molecular formula of Heptan-3-yl 4-methoxybenzoate?
The molecular formula of Heptan-3-yl 4-methoxybenzoate is C15H22O3.
What is the molecular weight of Heptan-3-yl 4-methoxybenzoate?
The molecular weight of Heptan-3-yl 4-methoxybenzoate is 250.16 g/mol.
Where can I buy Heptan-3-yl 4-methoxybenzoate?
You can request a quote for Heptan-3-yl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptan-3-yl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptan-3-yl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.