2-Propanol, 1-chloro-3-(pentyloxy)-
TL;DR: 2-Propanol, 1-chloro-3-(pentyloxy)- (CAS 25401-93-8) is a chemical compound with molecular formula C8H17ClO2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-pentoxypropan-2-ol
Also Known As: 1-Chloro-3-(pentyloxy)-2-propanol, 2-Propanol, 1-chloro-3-(pentyloxy)-, NCIOpen2_001277, 1-chloro-3-pentoxypropan-2-ol, 1-chloro-3-(pentyloxy)propan-2-ol
| Molecular Formula | C8H17ClO2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 180.0917 |
| Heavy Atoms | 11 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 25401-93-8 |
|---|---|
| SMILES | CCCCCOCC(CCl)O |
| InChIKey | RONHEAQGRBGOCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanol, 1-chloro-3-(pentyloxy)- (CAS 25401-93-8), with molecular formula C8H17ClO2 and molecular weight 180.09 g/mol. IUPAC: 1-chloro-3-pentoxypropan-2-ol.
Chemical Property Profile of 2-Propanol, 1-chloro-3-(pentyloxy)-
Property Insights of 2-Propanol, 1-chloro-3-(pentyloxy)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-chloro-3-(pentyloxy)-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Propanol, 1-chloro-3-(pentyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-chloro-3-(pentyloxy)- has 1 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 2-Propanol, 1-chloro-3-(pentyloxy)-?
The CAS number of 2-Propanol, 1-chloro-3-(pentyloxy)- is 25401-93-8.
What is the molecular formula of 2-Propanol, 1-chloro-3-(pentyloxy)-?
The molecular formula of 2-Propanol, 1-chloro-3-(pentyloxy)- is C8H17ClO2.
What is the molecular weight of 2-Propanol, 1-chloro-3-(pentyloxy)-?
The molecular weight of 2-Propanol, 1-chloro-3-(pentyloxy)- is 180.09 g/mol.
Where can I buy 2-Propanol, 1-chloro-3-(pentyloxy)-?
You can request a quote for 2-Propanol, 1-chloro-3-(pentyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-chloro-3-(pentyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-chloro-3-(pentyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.