2-辛烯二酸
TL;DR: 2-辛烯二酸 (CAS 63597-03-5) 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.
2-辛烯二酸
(E)-oct-2-enedioic acid
Also Known As: 2-Octenedioic acid, (E)-oct-2-enedioic acid, 2-Octenedioate, 2-Octenedioicacid, Oct-2-endisaeure
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.2722 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 183.49689 |
Chemical Identifiers
| CAS Number | 63597-03-5 |
|---|---|
| SMILES | C(CCC(=O)O)C/C=C/C(=O)O |
Product Overview
2-辛烯二酸 (CAS 63597-03-5), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: (E)-oct-2-enedioic acid.
Chemical Property Profile of 2-辛烯二酸
Property Insights of 2-辛烯二酸
The XLogP value of 1.2722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-辛烯二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-辛烯二酸. Following Lipinski's Rule of Five, 2-辛烯二酸 has 2 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 2-辛烯二酸?
The CAS number of 2-辛烯二酸 is 63597-03-5.
What is the molecular formula of 2-辛烯二酸?
The molecular formula of 2-辛烯二酸 is C8H12O4.
What is the molecular weight of 2-辛烯二酸?
The molecular weight of 2-辛烯二酸 is 172.07 g/mol.
Where can I buy 2-辛烯二酸?
You can request a quote for 2-辛烯二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛烯二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-辛烯二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.