仲丁醇
TL;DR: 仲丁醇 (CAS 78-92-2) is a chemical compound with molecular formula C4H10O and molecular weight 74.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仲丁醇
butan-2-ol
Also Known As: 2-Butanol, sec-Butanol, Butan-2-ol, SEC-BUTYL ALCOHOL, 2-Hydroxybutane
| Molecular Formula | C4H10O |
|---|---|
| Molecular Weight | 74.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 74.073166 |
| Heavy Atoms | 5 |
| Complexity | 19.0 |
| Melting Point | -115.0 °C |
| Boiling Point | 99.4 °C at 760 mmHg |
| Density | 0.81 - Less dense than water; will float |
| Solubility | 16 % (NIOSH, 2024) |
| Flash Point | 23.9 °C |
| Vapor Pressure | 12 mmHg |
| Refractive Index | 1.3978 @ 20 °C |
Chemical Identifiers
| CAS Number | 78-92-2 |
|---|---|
| SMILES | CCC(C)O |
| InChIKey | BTANRVKWQNVYAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
仲丁醇 (CAS 78-92-2), with molecular formula C4H10O and molecular weight 74.07 g/mol. IUPAC: butan-2-ol.
Chemical Property Profile of 仲丁醇
Property Insights of 仲丁醇
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 仲丁醇. With a topological polar surface area (TPSA) of 20.2 Ų, 仲丁醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 仲丁醇 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 仲丁醇?
The CAS number of 仲丁醇 is 78-92-2.
What is the molecular formula of 仲丁醇?
The molecular formula of 仲丁醇 is C4H10O.
What is the molecular weight of 仲丁醇?
The molecular weight of 仲丁醇 is 74.07 g/mol.
Where can I buy 仲丁醇?
You can request a quote for 仲丁醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仲丁醇?
Yes, KEHONG BIO provides custom synthesis services for 仲丁醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.