1,1,2-Trichloropropane
TL;DR: 1,1,2-Trichloropropane (CAS 598-77-6) is a chemical compound with molecular formula C3H5Cl3 and molecular weight 145.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-trichloropropane
Also Known As: 1,1,2-TRICHLOROPROPANE, Trichloropropane, Propane, 1,1,2-trichloro-, 2-Chloropropylidene Chloride, 112-Trichloropropane
| Molecular Formula | C3H5Cl3 |
|---|---|
| Molecular Weight | 145.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.94568 |
| Heavy Atoms | 6 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 598-77-6 |
|---|---|
| SMILES | CC(C(Cl)Cl)Cl |
| InChIKey | GRSQYISVQKPZCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2-Trichloropropane (CAS 598-77-6), with molecular formula C3H5Cl3 and molecular weight 145.95 g/mol. IUPAC: 1,1,2-trichloropropane.
Chemical Property Profile of 1,1,2-Trichloropropane
Property Insights of 1,1,2-Trichloropropane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,2-Trichloropropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2-Trichloropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2-Trichloropropane has 0 hydrogen bond donor(s) and 0 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 1,1,2-Trichloropropane?
The CAS number of 1,1,2-Trichloropropane is 598-77-6.
What is the molecular formula of 1,1,2-Trichloropropane?
The molecular formula of 1,1,2-Trichloropropane is C3H5Cl3.
What is the molecular weight of 1,1,2-Trichloropropane?
The molecular weight of 1,1,2-Trichloropropane is 145.95 g/mol.
Where can I buy 1,1,2-Trichloropropane?
You can request a quote for 1,1,2-Trichloropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2-Trichloropropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2-Trichloropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.