溴丁烯二酸
TL;DR: 溴丁烯二酸 (CAS 584-99-6) is a chemical compound with molecular formula C4H3BrO4 and molecular weight 193.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴丁烯二酸
2-bromobut-2-enedioic acid
Also Known As: Bromomaleic acid, bromobutenedioic acid, 2-bromobut-2-enedioic acid, (2Z)-2-Bromo-2-butenedioic acid, C4H3BrO4
| Molecular Formula | C4H3BrO4 |
|---|---|
| Molecular Weight | 193.92 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.92146 |
| Heavy Atoms | 9 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 584-99-6 |
|---|---|
| SMILES | C(=C(C(=O)O)Br)C(=O)O |
| InChIKey | SOWPGKJPEXNMCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴丁烯二酸 (CAS 584-99-6), with molecular formula C4H3BrO4 and molecular weight 193.92 g/mol. IUPAC: 2-bromobut-2-enedioic acid.
Chemical Property Profile of 溴丁烯二酸
Property Insights of 溴丁烯二酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴丁烯二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴丁烯二酸. Following Lipinski's Rule of Five, 溴丁烯二酸 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 溴丁烯二酸?
The CAS number of 溴丁烯二酸 is 584-99-6.
What is the molecular formula of 溴丁烯二酸?
The molecular formula of 溴丁烯二酸 is C4H3BrO4.
What is the molecular weight of 溴丁烯二酸?
The molecular weight of 溴丁烯二酸 is 193.92 g/mol.
Where can I buy 溴丁烯二酸?
You can request a quote for 溴丁烯二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴丁烯二酸?
Yes, KEHONG BIO provides custom synthesis services for 溴丁烯二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.