巴豆醇
TL;DR: 巴豆醇 (CAS 6117-91-5) is a chemical compound with molecular formula C4H8O and molecular weight 72.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴豆醇
but-2-en-1-ol
Also Known As: but-2-en-1-ol, 2-Buten-1-ol, Crotyl alcohol, Crotonyl alcohol, crotonol
| Molecular Formula | C4H8O |
|---|---|
| Molecular Weight | 72.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.05752 |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
Chemical Identifiers
| CAS Number | 6117-91-5 |
|---|---|
| SMILES | CC=CCO |
| InChIKey | WCASXYBKJHWFMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
巴豆醇 (CAS 6117-91-5), with molecular formula C4H8O and molecular weight 72.06 g/mol. IUPAC: but-2-en-1-ol.
Chemical Property Profile of 巴豆醇
Property Insights of 巴豆醇
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巴豆醇. With a topological polar surface area (TPSA) of 20.2 Ų, 巴豆醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巴豆醇 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 巴豆醇?
The CAS number of 巴豆醇 is 6117-91-5.
What is the molecular formula of 巴豆醇?
The molecular formula of 巴豆醇 is C4H8O.
What is the molecular weight of 巴豆醇?
The molecular weight of 巴豆醇 is 72.06 g/mol.
Where can I buy 巴豆醇?
You can request a quote for 巴豆醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴豆醇?
Yes, KEHONG BIO provides custom synthesis services for 巴豆醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.