2,2-Dichloropropanol
TL;DR: 2,2-Dichloropropanol (CAS 63151-11-1) is a chemical compound with molecular formula C3H6Cl2O and molecular weight 127.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloropropan-1-ol
Also Known As: Dichloropropanol, DICHLORPROPANOL, 2,2-DICHLOROPROPANOL, 1,1-dichloropropan-1-ol, 157404-EP2268596A1
| Molecular Formula | C3H6Cl2O |
|---|---|
| Molecular Weight | 127.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.97957 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 63151-11-1 |
|---|---|
| SMILES | CCC(O)(Cl)Cl |
| InChIKey | XEPXTKKIWBPAEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloropropanol (CAS 63151-11-1), with molecular formula C3H6Cl2O and molecular weight 127.98 g/mol. IUPAC: 1,1-dichloropropan-1-ol.
Chemical Property Profile of 2,2-Dichloropropanol
Property Insights of 2,2-Dichloropropanol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloropropanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,2-Dichloropropanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloropropanol has 1 hydrogen bond donor(s) and 1 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 2,2-Dichloropropanol?
The CAS number of 2,2-Dichloropropanol is 63151-11-1.
What is the molecular formula of 2,2-Dichloropropanol?
The molecular formula of 2,2-Dichloropropanol is C3H6Cl2O.
What is the molecular weight of 2,2-Dichloropropanol?
The molecular weight of 2,2-Dichloropropanol is 127.98 g/mol.
Where can I buy 2,2-Dichloropropanol?
You can request a quote for 2,2-Dichloropropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloropropanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloropropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.