1-Chloro-3-ethoxy-2-propanol
TL;DR: 1-Chloro-3-ethoxy-2-propanol (CAS 4151-98-8) is a chemical compound with molecular formula C5H11ClO2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-ethoxypropan-2-ol
Also Known As: 1-chloro-3-ethoxypropan-2-ol, 1-Chloro-3-ethoxy-2-propanol, 3-Ethoxy-1-chloro-2-propanol, 2-Propanol, 1-chloro-3-ethoxy-, 1-Ethoxy-3-chloro-2-propanol
| Molecular Formula | C5H11ClO2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 138.04475 |
| Heavy Atoms | 8 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 4151-98-8 |
|---|---|
| SMILES | CCOCC(CCl)O |
| InChIKey | XHIINWKFCZSGNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-ethoxy-2-propanol (CAS 4151-98-8), with molecular formula C5H11ClO2 and molecular weight 138.04 g/mol. IUPAC: 1-chloro-3-ethoxypropan-2-ol.
Chemical Property Profile of 1-Chloro-3-ethoxy-2-propanol
Property Insights of 1-Chloro-3-ethoxy-2-propanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-ethoxy-2-propanol. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Chloro-3-ethoxy-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-ethoxy-2-propanol 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 1-Chloro-3-ethoxy-2-propanol?
The CAS number of 1-Chloro-3-ethoxy-2-propanol is 4151-98-8.
What is the molecular formula of 1-Chloro-3-ethoxy-2-propanol?
The molecular formula of 1-Chloro-3-ethoxy-2-propanol is C5H11ClO2.
What is the molecular weight of 1-Chloro-3-ethoxy-2-propanol?
The molecular weight of 1-Chloro-3-ethoxy-2-propanol is 138.04 g/mol.
Where can I buy 1-Chloro-3-ethoxy-2-propanol?
You can request a quote for 1-Chloro-3-ethoxy-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-ethoxy-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-ethoxy-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.