丁二烯酸
TL;DR: 丁二烯酸 (CAS 5732-10-5) is a chemical compound with molecular formula C4H4O2 and molecular weight 84.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二烯酸
buta-2,3-dienoic acid
Also Known As: buta-2,3-dienoic acid, 2,3-butadienoic acid, buta-2,3-dienoicacid, InChI=1/C4H4O2/c1-2-3-4(5)6/h3H,1H2,(H,5,6
| Molecular Formula | C4H4O2 |
|---|---|
| Molecular Weight | 84.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.021126 |
| Heavy Atoms | 6 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 5732-10-5 |
|---|---|
| SMILES | C=C=CC(=O)O |
| InChIKey | BZYFSQTXMFJOEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二烯酸 (CAS 5732-10-5), with molecular formula C4H4O2 and molecular weight 84.02 g/mol. IUPAC: buta-2,3-dienoic acid.
Chemical Property Profile of 丁二烯酸
Property Insights of 丁二烯酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁二烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 丁二烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二烯酸 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 丁二烯酸?
The CAS number of 丁二烯酸 is 5732-10-5.
What is the molecular formula of 丁二烯酸?
The molecular formula of 丁二烯酸 is C4H4O2.
What is the molecular weight of 丁二烯酸?
The molecular weight of 丁二烯酸 is 84.02 g/mol.
Where can I buy 丁二烯酸?
You can request a quote for 丁二烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二烯酸?
Yes, KEHONG BIO provides custom synthesis services for 丁二烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.