Hydroxybuta-1,3-diene
TL;DR: Hydroxybuta-1,3-diene (CAS 70411-98-2) is a chemical compound with molecular formula C4H6O and molecular weight 70.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-dien-1-ol
Also Known As: (Z)-1,3-Butadienol, hydroxybuta-1,3-diene, 1,3-Butadien-1-ol, (E)-1,3-Butadienol
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.04186 |
| Heavy Atoms | 5 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 70411-98-2 |
|---|---|
| SMILES | C=CC=CO |
| InChIKey | LNDKRVOOYMEYTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxybuta-1,3-diene (CAS 70411-98-2), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: buta-1,3-dien-1-ol.
Chemical Property Profile of Hydroxybuta-1,3-diene
Property Insights of Hydroxybuta-1,3-diene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxybuta-1,3-diene. With a topological polar surface area (TPSA) of 20.2 Ų, Hydroxybuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxybuta-1,3-diene has 1 hydrogen bond donor(s) and 1 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 Hydroxybuta-1,3-diene?
The CAS number of Hydroxybuta-1,3-diene is 70411-98-2.
What is the molecular formula of Hydroxybuta-1,3-diene?
The molecular formula of Hydroxybuta-1,3-diene is C4H6O.
What is the molecular weight of Hydroxybuta-1,3-diene?
The molecular weight of Hydroxybuta-1,3-diene is 70.04 g/mol.
Where can I buy Hydroxybuta-1,3-diene?
You can request a quote for Hydroxybuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxybuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for Hydroxybuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.