1-Chloro-1,2-butadiene
TL;DR: 1-Chloro-1,2-butadiene (CAS 627-23-6) is a chemical compound with molecular formula C4H5Cl and molecular weight 88.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobuta-1,2-diene
Also Known As: 1-CHLORO-1,2-BUTADIENE, 1-chlorobuta-1,2-diene, 1-Chlorbuta-1,2-dien, 1-Chloro-3-methylallene, RefChem:229176
| Molecular Formula | C4H5Cl |
|---|---|
| Molecular Weight | 88.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.00798 |
| Heavy Atoms | 5 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 627-23-6 |
|---|---|
| SMILES | CC=C=CCl |
| InChIKey | ATIACLGGQZJTFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1,2-butadiene (CAS 627-23-6), with molecular formula C4H5Cl and molecular weight 88.01 g/mol. IUPAC: 1-chlorobuta-1,2-diene.
Chemical Property Profile of 1-Chloro-1,2-butadiene
Property Insights of 1-Chloro-1,2-butadiene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,2-butadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-1,2-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1,2-butadiene 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-Chloro-1,2-butadiene?
The CAS number of 1-Chloro-1,2-butadiene is 627-23-6.
What is the molecular formula of 1-Chloro-1,2-butadiene?
The molecular formula of 1-Chloro-1,2-butadiene is C4H5Cl.
What is the molecular weight of 1-Chloro-1,2-butadiene?
The molecular weight of 1-Chloro-1,2-butadiene is 88.01 g/mol.
Where can I buy 1-Chloro-1,2-butadiene?
You can request a quote for 1-Chloro-1,2-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,2-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,2-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.