丁炔二酸
TL;DR: 丁炔二酸 (CAS 142-45-0) is a chemical compound with molecular formula C4H2O4 and molecular weight 114.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁炔二酸
but-2-ynedioic acid
Also Known As: acetylenedicarboxylic acid, 2-butynedioic acid, but-2-ynedioic acid, Butynedioic acid, acetylenedicarboxylate
| Molecular Formula | C4H2O4 |
|---|---|
| Molecular Weight | 114.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.99531 |
| Heavy Atoms | 8 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 142-45-0 |
|---|---|
| SMILES | C(#CC(=O)O)C(=O)O |
| InChIKey | YTIVTFGABIZHHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁炔二酸 (CAS 142-45-0), with molecular formula C4H2O4 and molecular weight 114.00 g/mol. IUPAC: but-2-ynedioic acid.
Chemical Property Profile of 丁炔二酸
Property Insights of 丁炔二酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁炔二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁炔二酸. Following Lipinski's Rule of Five, 丁炔二酸 has 2 hydrogen bond donor(s) and 4 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 丁炔二酸?
The CAS number of 丁炔二酸 is 142-45-0.
What is the molecular formula of 丁炔二酸?
The molecular formula of 丁炔二酸 is C4H2O4.
What is the molecular weight of 丁炔二酸?
The molecular weight of 丁炔二酸 is 114.00 g/mol.
Where can I buy 丁炔二酸?
You can request a quote for 丁炔二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁炔二酸?
Yes, KEHONG BIO provides custom synthesis services for 丁炔二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.