1-(2-Chlorophenoxy)propan-2-yl pentanoate
TL;DR: 1-(2-Chlorophenoxy)propan-2-yl pentanoate (CAS 6312-00-1) is a chemical compound with molecular formula C14H19ClO3 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenoxy)propan-2-yl pentanoate
Also Known As: Ameisensaeure-nonylester, 1-(2-chlorophenoxy)propan-2-yl pentanoate, KST-1B6569
| Molecular Formula | C14H19ClO3 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.10226 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 6312-00-1 |
|---|---|
| SMILES | CCCCC(=O)OC(C)COC1=CC=CC=C1Cl |
| InChIKey | IPGSWUOJEFFMES-UHFFFAOYSA-N |
Product Overview
1-(2-Chlorophenoxy)propan-2-yl pentanoate (CAS 6312-00-1), with molecular formula C14H19ClO3 and molecular weight 270.10 g/mol. IUPAC: 1-(2-chlorophenoxy)propan-2-yl pentanoate.
Chemical Property Profile of 1-(2-Chlorophenoxy)propan-2-yl pentanoate
Property Insights of 1-(2-Chlorophenoxy)propan-2-yl pentanoate
The XLogP value of 4.2 indicates that 1-(2-Chlorophenoxy)propan-2-yl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(2-Chlorophenoxy)propan-2-yl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenoxy)propan-2-yl pentanoate 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 1-(2-Chlorophenoxy)propan-2-yl pentanoate?
The CAS number of 1-(2-Chlorophenoxy)propan-2-yl pentanoate is 6312-00-1.
What is the molecular formula of 1-(2-Chlorophenoxy)propan-2-yl pentanoate?
The molecular formula of 1-(2-Chlorophenoxy)propan-2-yl pentanoate is C14H19ClO3.
What is the molecular weight of 1-(2-Chlorophenoxy)propan-2-yl pentanoate?
The molecular weight of 1-(2-Chlorophenoxy)propan-2-yl pentanoate is 270.10 g/mol.
Where can I buy 1-(2-Chlorophenoxy)propan-2-yl pentanoate?
You can request a quote for 1-(2-Chlorophenoxy)propan-2-yl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenoxy)propan-2-yl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenoxy)propan-2-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.