2,3-二氯-4-氧代-2-丁烯酸
TL;DR: 2,3-二氯-4-氧代-2-丁烯酸 (CAS 87-56-9) is a chemical compound with molecular formula C4H2Cl2O3 and molecular weight 167.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氯-4-氧代-2-丁烯酸
2,3-dichloro-4-oxobut-2-enoic acid
Also Known As: Mucochloric acid, chlorslimsyre-, Kyselina mukochlorova, Dichloromalealdehydic acid, Aldehydodichloromaleic acid
| Molecular Formula | C4H2Cl2O3 |
|---|---|
| Molecular Weight | 167.94 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.9381 |
| Heavy Atoms | 9 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 87-56-9 |
|---|---|
| SMILES | C(=O)C(=C(C(=O)O)Cl)Cl |
| InChIKey | LUMLZKVIXLWTCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氯-4-氧代-2-丁烯酸 (CAS 87-56-9), with molecular formula C4H2Cl2O3 and molecular weight 167.94 g/mol. IUPAC: 2,3-dichloro-4-oxobut-2-enoic acid.
Chemical Property Profile of 2,3-二氯-4-氧代-2-丁烯酸
Property Insights of 2,3-二氯-4-氧代-2-丁烯酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氯-4-氧代-2-丁烯酸. With a topological polar surface area (TPSA) of 54.4 Ų, 2,3-二氯-4-氧代-2-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二氯-4-氧代-2-丁烯酸 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 2,3-二氯-4-氧代-2-丁烯酸?
The CAS number of 2,3-二氯-4-氧代-2-丁烯酸 is 87-56-9.
What is the molecular formula of 2,3-二氯-4-氧代-2-丁烯酸?
The molecular formula of 2,3-二氯-4-氧代-2-丁烯酸 is C4H2Cl2O3.
What is the molecular weight of 2,3-二氯-4-氧代-2-丁烯酸?
The molecular weight of 2,3-二氯-4-氧代-2-丁烯酸 is 167.94 g/mol.
Where can I buy 2,3-二氯-4-氧代-2-丁烯酸?
You can request a quote for 2,3-二氯-4-氧代-2-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氯-4-氧代-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氯-4-氧代-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.