辛-2-烯二酸
TL;DR: 辛-2-烯二酸 (CAS 5698-50-0) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛-2-烯二酸
oct-2-enedioic acid
Also Known As: 2-Octenedioic acid, Octenedioic acid, oct-2-enedioic acid, (E)-oct-2-enedioic acid, RefChem:1093730
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5698-50-0 |
|---|---|
| SMILES | C(CCC(=O)O)CC=CC(=O)O |
| InChIKey | BNTPVRGYUHJFHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛-2-烯二酸 (CAS 5698-50-0), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: oct-2-enedioic acid.
Chemical Property Profile of 辛-2-烯二酸
Property Insights of 辛-2-烯二酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 辛-2-烯二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 辛-2-烯二酸. Following Lipinski's Rule of Five, 辛-2-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 辛-2-烯二酸?
The CAS number of 辛-2-烯二酸 is 5698-50-0.
What is the molecular formula of 辛-2-烯二酸?
The molecular formula of 辛-2-烯二酸 is C8H12O4.
What is the molecular weight of 辛-2-烯二酸?
The molecular weight of 辛-2-烯二酸 is 172.07 g/mol.
Where can I buy 辛-2-烯二酸?
You can request a quote for 辛-2-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 辛-2-烯二酸?
Yes, KEHONG BIO provides custom synthesis services for 辛-2-烯二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.