3-戊炔酸
TL;DR: 3-戊炔酸 (CAS 36781-65-4) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-戊炔酸
pent-3-ynoic acid
Also Known As: 3-Pentynoic acid, pent-3-ynoic acid, 3-Pentynoicacid, Pent-3-insaeure, pent-3-ynoicacid
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 36781-65-4 |
|---|---|
| SMILES | CC#CCC(=O)O |
| InChIKey | NIZKVZYBUGUDTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-戊炔酸 (CAS 36781-65-4), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: pent-3-ynoic acid.
Chemical Property Profile of 3-戊炔酸
Property Insights of 3-戊炔酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-戊炔酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-戊炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-戊炔酸 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 3-戊炔酸?
The CAS number of 3-戊炔酸 is 36781-65-4.
What is the molecular formula of 3-戊炔酸?
The molecular formula of 3-戊炔酸 is C5H6O2.
What is the molecular weight of 3-戊炔酸?
The molecular weight of 3-戊炔酸 is 98.04 g/mol.
Where can I buy 3-戊炔酸?
You can request a quote for 3-戊炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-戊炔酸?
Yes, KEHONG BIO provides custom synthesis services for 3-戊炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.