1,1,1,2-四氯丙烷
TL;DR: 1,1,1,2-四氯丙烷 (CAS 812-03-3) is a chemical compound with molecular formula C3H4Cl4 and molecular weight 179.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2-四氯丙烷
1,1,1,2-tetrachloropropane
Also Known As: 1,1,1,2-TETRACHLOROPROPANE, Tetrachloropropane, Propane, 1,1,1,2-tetrachloro-, CH3CHClCCl3, 1,1,1,2-tetrachloro-propane
| Molecular Formula | C3H4Cl4 |
|---|---|
| Molecular Weight | 179.91 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.90376 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 812-03-3 |
|---|---|
| SMILES | CC(C(Cl)(Cl)Cl)Cl |
| InChIKey | FEKGWIHDBVDVSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2-四氯丙烷 (CAS 812-03-3), with molecular formula C3H4Cl4 and molecular weight 179.91 g/mol. IUPAC: 1,1,1,2-tetrachloropropane.
Chemical Property Profile of 1,1,1,2-四氯丙烷
Property Insights of 1,1,1,2-四氯丙烷
The XLogP value of 3.1 indicates that 1,1,1,2-四氯丙烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2-四氯丙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2-四氯丙烷 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 1,1,1,2-四氯丙烷?
The CAS number of 1,1,1,2-四氯丙烷 is 812-03-3.
What is the molecular formula of 1,1,1,2-四氯丙烷?
The molecular formula of 1,1,1,2-四氯丙烷 is C3H4Cl4.
What is the molecular weight of 1,1,1,2-四氯丙烷?
The molecular weight of 1,1,1,2-四氯丙烷 is 179.91 g/mol.
Where can I buy 1,1,1,2-四氯丙烷?
You can request a quote for 1,1,1,2-四氯丙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2-四氯丙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2-四氯丙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.