4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)
TL;DR: 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) (CAS 6947-97-3) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-dimethoxycyclopent-4-ene-1,3-diimine
Also Known As: 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime), 1-N,3-N-dimethoxycyclopent-4-ene-1,3-diimine, N~1~,N~3~-Dimethoxycyclopent-4-ene-1,3-diimine
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 6947-97-3 |
|---|---|
| SMILES | CON=C1CC(=NOC)C=C1 |
| InChIKey | XPDUZMVAGNZNSW-UHFFFAOYSA-N |
Product Overview
4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) (CAS 6947-97-3), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: 1-N,3-N-dimethoxycyclopent-4-ene-1,3-diimine.
Chemical Property Profile of 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)
Property Insights of 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime). With a topological polar surface area (TPSA) of 43.2 Ų, 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) has 0 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 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)?
The CAS number of 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) is 6947-97-3.
What is the molecular formula of 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)?
The molecular formula of 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) is C7H10N2O2.
What is the molecular weight of 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)?
The molecular weight of 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) is 154.07 g/mol.
Where can I buy 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)?
You can request a quote for 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime)?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclopentene-1,3-dione, 1,3-bis(O-methyloxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.