3-氧代-2-丙基戊酸
TL;DR: 3-氧代-2-丙基戊酸 (CAS 60113-81-7) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代-2-丙基戊酸
3-oxo-2-propylpentanoic acid
Also Known As: 3-Oxovalproic acid, 3-oxo-2-propylpentanoic acid, 3-Oxo-vpa, 2-n-Propyl-3-oxopentanoic acid, 3-Keto-VPA
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 60113-81-7 |
|---|---|
| SMILES | CCCC(C(=O)CC)C(=O)O |
| InChIKey | PPYHXKUZTSZTQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代-2-丙基戊酸 (CAS 60113-81-7), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 3-oxo-2-propylpentanoic acid.
Chemical Property Profile of 3-氧代-2-丙基戊酸
Property Insights of 3-氧代-2-丙基戊酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氧代-2-丙基戊酸. With a topological polar surface area (TPSA) of 54.4 Ų, 3-氧代-2-丙基戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代-2-丙基戊酸 has 1 hydrogen bond donor(s) and 3 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 3-氧代-2-丙基戊酸?
The CAS number of 3-氧代-2-丙基戊酸 is 60113-81-7.
What is the molecular formula of 3-氧代-2-丙基戊酸?
The molecular formula of 3-氧代-2-丙基戊酸 is C8H14O3.
What is the molecular weight of 3-氧代-2-丙基戊酸?
The molecular weight of 3-氧代-2-丙基戊酸 is 158.09 g/mol.
Where can I buy 3-氧代-2-丙基戊酸?
You can request a quote for 3-氧代-2-丙基戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代-2-丙基戊酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代-2-丙基戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.