1,2,3-Trichlorobutane
TL;DR: 1,2,3-Trichlorobutane (CAS 18338-40-4) is a chemical compound with molecular formula C4H7Cl3 and molecular weight 159.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichlorobutane
Also Known As: 1,2,3-Trichlorobutane, 1,2,3-trichloro-butane, 1,2,3-Trichlorobutane., BUTANE, 1,2,3-TRICHLORO-, 3-01-00-00285 (Beilstein Handbook Reference)
| Molecular Formula | C4H7Cl3 |
|---|---|
| Molecular Weight | 159.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.96133 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 18338-40-4 |
|---|---|
| SMILES | CC(C(CCl)Cl)Cl |
| InChIKey | RMZZAEDPBSKZOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trichlorobutane (CAS 18338-40-4), with molecular formula C4H7Cl3 and molecular weight 159.96 g/mol. IUPAC: 1,2,3-trichlorobutane.
Chemical Property Profile of 1,2,3-Trichlorobutane
Property Insights of 1,2,3-Trichlorobutane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trichlorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trichlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trichlorobutane 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 1,2,3-Trichlorobutane?
The CAS number of 1,2,3-Trichlorobutane is 18338-40-4.
What is the molecular formula of 1,2,3-Trichlorobutane?
The molecular formula of 1,2,3-Trichlorobutane is C4H7Cl3.
What is the molecular weight of 1,2,3-Trichlorobutane?
The molecular weight of 1,2,3-Trichlorobutane is 159.96 g/mol.
Where can I buy 1,2,3-Trichlorobutane?
You can request a quote for 1,2,3-Trichlorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trichlorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trichlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.