丁醛
TL;DR: 丁醛 (CAS 123-72-8) 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.
丁醛
butanal
Also Known As: butyraldehyde, butanal, n-butyraldehyde, Butyral, Butanaldehyde
| Molecular Formula | C4H8O |
|---|---|
| Molecular Weight | 72.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 72.05752 |
| Heavy Atoms | 5 |
| Complexity | 24.0 |
| Melting Point | -98.9 °C |
| Boiling Point | 75.0 °C at 760 mmHg |
| Density | 0.803 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | -6.7 °C |
| Vapor Pressure | 91.5 mmHg at 20.0 °C |
| Refractive Index | 1.3843 at 20 °C |
Chemical Identifiers
| CAS Number | 123-72-8 |
|---|---|
| SMILES | CCCC=O |
| InChIKey | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁醛 (CAS 123-72-8), with molecular formula C4H8O and molecular weight 72.06 g/mol. IUPAC: butanal.
Chemical Property Profile of 丁醛
Property Insights of 丁醛
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁醛. With a topological polar surface area (TPSA) of 17.1 Ų, 丁醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁醛 has 0 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 丁醛?
The CAS number of 丁醛 is 123-72-8.
What is the molecular formula of 丁醛?
The molecular formula of 丁醛 is C4H8O.
What is the molecular weight of 丁醛?
The molecular weight of 丁醛 is 72.06 g/mol.
Where can I buy 丁醛?
You can request a quote for 丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁醛?
Yes, KEHONG BIO provides custom synthesis services for 丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.