6-Chloropiperonyl alcohol
TL;DR: 6-Chloropiperonyl alcohol (CAS 2591-25-5) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-1,3-benzodioxol-5-yl)methanol
Also Known As: 6-Chloropiperonyl alcohol, (6-chloro-1,3-benzodioxol-5-yl)methanol, (6-Chlorobenzo[d][1,3]dioxol-5-yl)methanol, 6-chloropiperonylalcohol, (6-chloro-2H-1,3-benzodioxol-5-yl)methanol
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.561 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 310.66644 |
Chemical Identifiers
| CAS Number | 2591-25-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CO)Cl |
Product Overview
6-Chloropiperonyl alcohol (CAS 2591-25-5), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: (6-chloro-1,3-benzodioxol-5-yl)methanol.
Chemical Property Profile of 6-Chloropiperonyl alcohol
Property Insights of 6-Chloropiperonyl alcohol
The XLogP value of 1.561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloropiperonyl alcohol. With a topological polar surface area (TPSA) of 38.69 Ų, 6-Chloropiperonyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloropiperonyl alcohol has 1 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 6-Chloropiperonyl alcohol?
The CAS number of 6-Chloropiperonyl alcohol is 2591-25-5.
What is the molecular formula of 6-Chloropiperonyl alcohol?
The molecular formula of 6-Chloropiperonyl alcohol is C8H7ClO3.
What is the molecular weight of 6-Chloropiperonyl alcohol?
The molecular weight of 6-Chloropiperonyl alcohol is 186.01 g/mol.
Where can I buy 6-Chloropiperonyl alcohol?
You can request a quote for 6-Chloropiperonyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloropiperonyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloropiperonyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.