2-Chloro-3-methyl-1-butene
TL;DR: 2-Chloro-3-methyl-1-butene (CAS 17773-64-7) is a chemical compound with molecular formula C5H9Cl and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-methylbut-1-ene
Also Known As: 2-chloro-3-methylbut-1-ene, 2-Chloro-3-methyl-1-butene, 1-Butene, 2-chloro-3-methyl-, CH2=C(Cl)CH(CH3)2, 2-Chloro-3-methyl-1-butene #
| Molecular Formula | C5H9Cl |
|---|---|
| Molecular Weight | 104.04 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 | 104.039276 |
| Heavy Atoms | 6 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 17773-64-7 |
|---|---|
| SMILES | CC(C)C(=C)Cl |
| InChIKey | RBSYGFLXVMWYGD-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-methyl-1-butene (CAS 17773-64-7), with molecular formula C5H9Cl and molecular weight 104.04 g/mol. IUPAC: 2-chloro-3-methylbut-1-ene.
Chemical Property Profile of 2-Chloro-3-methyl-1-butene
Property Insights of 2-Chloro-3-methyl-1-butene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-methyl-1-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-3-methyl-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-methyl-1-butene 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 2-Chloro-3-methyl-1-butene?
The CAS number of 2-Chloro-3-methyl-1-butene is 17773-64-7.
What is the molecular formula of 2-Chloro-3-methyl-1-butene?
The molecular formula of 2-Chloro-3-methyl-1-butene is C5H9Cl.
What is the molecular weight of 2-Chloro-3-methyl-1-butene?
The molecular weight of 2-Chloro-3-methyl-1-butene is 104.04 g/mol.
Where can I buy 2-Chloro-3-methyl-1-butene?
You can request a quote for 2-Chloro-3-methyl-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-methyl-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-methyl-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.