1,2,3-Butatriene
TL;DR: 1,2,3-Butatriene (CAS 2873-50-9) is a chemical compound with molecular formula C4H4 and molecular weight 52.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,2,3-triene
Also Known As: butatriene, 1,2,3-Butatriene, buta-1,2,3-triene, 3-butadienyl, 1-methylpropenyl
| Molecular Formula | C4H4 |
|---|---|
| Molecular Weight | 52.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 52.0313 |
| Heavy Atoms | 4 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 2873-50-9 |
|---|---|
| SMILES | C=C=C=C |
| InChIKey | WHVXVDDUYCELKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Butatriene (CAS 2873-50-9), with molecular formula C4H4 and molecular weight 52.03 g/mol. IUPAC: buta-1,2,3-triene.
Chemical Property Profile of 1,2,3-Butatriene
Property Insights of 1,2,3-Butatriene
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Butatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Butatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Butatriene 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-Butatriene?
The CAS number of 1,2,3-Butatriene is 2873-50-9.
What is the molecular formula of 1,2,3-Butatriene?
The molecular formula of 1,2,3-Butatriene is C4H4.
What is the molecular weight of 1,2,3-Butatriene?
The molecular weight of 1,2,3-Butatriene is 52.03 g/mol.
Where can I buy 1,2,3-Butatriene?
You can request a quote for 1,2,3-Butatriene 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-Butatriene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Butatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.