叔戊酸
TL;DR: 叔戊酸 (CAS 75-98-9) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔戊酸
2,2-dimethylpropanoic acid
Also Known As: Pivalic acid, Trimethylacetic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, 2,2-DIMETHYLPROPANOIC ACID
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 78.0 |
| Melting Point | 91 to 35.0 °C |
| Boiling Point | 325 to 163.9 °C at 760 mmHg |
| Density | 0.905 at 50.0 °C - Less dense than water; will float |
| Solubility | Very soluble in ethanol, ethyl ether |
| Flash Point | 64.0 °C |
| Vapor Pressure | 1.82 [mmHg] |
| Refractive Index | 1.3931 at 36.5 °C |
Chemical Identifiers
| CAS Number | 75-98-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)O |
| InChIKey | IUGYQRQAERSCNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔戊酸 (CAS 75-98-9), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 2,2-dimethylpropanoic acid.
Chemical Property Profile of 叔戊酸
Property Insights of 叔戊酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔戊酸. With a topological polar surface area (TPSA) of 37.3 Ų, 叔戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔戊酸 has 1 hydrogen bond donor(s) and 2 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 叔戊酸?
The CAS number of 叔戊酸 is 75-98-9.
What is the molecular formula of 叔戊酸?
The molecular formula of 叔戊酸 is C5H10O2.
What is the molecular weight of 叔戊酸?
The molecular weight of 叔戊酸 is 102.07 g/mol.
Where can I buy 叔戊酸?
You can request a quote for 叔戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔戊酸?
Yes, KEHONG BIO provides custom synthesis services for 叔戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.