氯丁炔酸
TL;DR: 氯丁炔酸 (CAS 13374-46-4) is a chemical compound with molecular formula C(C#CC(=O)O)Cl and molecular weight 117.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯丁炔酸
4-chlorobut-2-ynoic acid
Also Known As: 4-chlorobut-2-ynoic acid, 2-Butynoic acid, 4-chloro-, Chlorotetrolic acid, Chlorobutynoic acid, 4-chlorobut-2-ynoicacid
| Molecular Formula | C(C#CC(=O)O)Cl |
|---|---|
| Molecular Weight | 117.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.982155 |
| Heavy Atoms | 7 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 13374-46-4 |
|---|---|
| SMILES | C(C#CC(=O)O)Cl |
| InChIKey | HWIXWJHXUZIGJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯丁炔酸 (CAS 13374-46-4), with molecular formula C(C#CC(=O)O)Cl and molecular weight 117.98 g/mol. IUPAC: 4-chlorobut-2-ynoic acid.
Chemical Property Profile of 氯丁炔酸
Property Insights of 氯丁炔酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯丁炔酸. With a topological polar surface area (TPSA) of 37.3 Ų, 氯丁炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯丁炔酸 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 氯丁炔酸?
The CAS number of 氯丁炔酸 is 13374-46-4.
What is the molecular formula of 氯丁炔酸?
The molecular formula of 氯丁炔酸 is C(C#CC(=O)O)Cl.
What is the molecular weight of 氯丁炔酸?
The molecular weight of 氯丁炔酸 is 117.98 g/mol.
Where can I buy 氯丁炔酸?
You can request a quote for 氯丁炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯丁炔酸?
Yes, KEHONG BIO provides custom synthesis services for 氯丁炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.