3,3,3-Trichloro-2-methyl-1-propene
TL;DR: 3,3,3-Trichloro-2-methyl-1-propene (CAS 4749-27-3) is a chemical compound with molecular formula C4H5Cl3 and molecular weight 157.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trichloro-2-methylprop-1-ene
Also Known As: 3,3,3-Trichloro-2-methyl-1-propene, 3,3,3-trichloro-2-methylprop-1-ene, Propene, 3,3,3-trichloro-2-methyl-, 3,3,3-TRICHLORO-2-METHYLPROPENE, 1-Propene, 3,3,3-trichloro-2-methyl-
| Molecular Formula | C4H5Cl3 |
|---|---|
| Molecular Weight | 157.95 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.94568 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 4749-27-3 |
|---|---|
| SMILES | CC(=C)C(Cl)(Cl)Cl |
| InChIKey | AIZNASPCDNJRSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3-Trichloro-2-methyl-1-propene (CAS 4749-27-3), with molecular formula C4H5Cl3 and molecular weight 157.95 g/mol. IUPAC: 3,3,3-trichloro-2-methylprop-1-ene.
Chemical Property Profile of 3,3,3-Trichloro-2-methyl-1-propene
Property Insights of 3,3,3-Trichloro-2-methyl-1-propene
The XLogP value of 3.3 indicates that 3,3,3-Trichloro-2-methyl-1-propene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3,3-Trichloro-2-methyl-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trichloro-2-methyl-1-propene 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 3,3,3-Trichloro-2-methyl-1-propene?
The CAS number of 3,3,3-Trichloro-2-methyl-1-propene is 4749-27-3.
What is the molecular formula of 3,3,3-Trichloro-2-methyl-1-propene?
The molecular formula of 3,3,3-Trichloro-2-methyl-1-propene is C4H5Cl3.
What is the molecular weight of 3,3,3-Trichloro-2-methyl-1-propene?
The molecular weight of 3,3,3-Trichloro-2-methyl-1-propene is 157.95 g/mol.
Where can I buy 3,3,3-Trichloro-2-methyl-1-propene?
You can request a quote for 3,3,3-Trichloro-2-methyl-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trichloro-2-methyl-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trichloro-2-methyl-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.