新戊醇
TL;DR: 新戊醇 (CAS 75-84-3) is a chemical compound with molecular formula C5H12O and molecular weight 88.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新戊醇
2,2-dimethylpropan-1-ol
Also Known As: NEOPENTYL ALCOHOL, 2,2-Dimethyl-1-propanol, 2,2-dimethylpropan-1-ol, Neoamyl alcohol, Neopentanol
| Molecular Formula | C5H12O |
|---|---|
| Molecular Weight | 88.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.08881 |
| Heavy Atoms | 6 |
| Complexity | 33.0 |
| Melting Point | 53 °C |
| Boiling Point | 114 °C |
| Density | 0.812 @ 20 °C |
| Solubility | MISCIBLE WITH ALC, ETHER; IN WATER: ABOUT 3.5% @ 25 °C |
| Flash Point | 36.7 °C (37 °C) (CLOSED CUP) |
| Vapor Pressure | 16.0 [mmHg] |
Chemical Identifiers
| CAS Number | 75-84-3 |
|---|---|
| SMILES | CC(C)(C)CO |
| InChIKey | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新戊醇 (CAS 75-84-3), with molecular formula C5H12O and molecular weight 88.09 g/mol. IUPAC: 2,2-dimethylpropan-1-ol.
Chemical Property Profile of 新戊醇
Property Insights of 新戊醇
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新戊醇. With a topological polar surface area (TPSA) of 20.2 Ų, 新戊醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新戊醇 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 新戊醇?
The CAS number of 新戊醇 is 75-84-3.
What is the molecular formula of 新戊醇?
The molecular formula of 新戊醇 is C5H12O.
What is the molecular weight of 新戊醇?
The molecular weight of 新戊醇 is 88.09 g/mol.
Where can I buy 新戊醇?
You can request a quote for 新戊醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新戊醇?
Yes, KEHONG BIO provides custom synthesis services for 新戊醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.