3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione
TL;DR: 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione (CAS 144913-06-4) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione
Also Known As: 3-(benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione, 3-Benzylamino-4-ethoxy-cyclobut-3-ene-1,2-dione, (R)-(+)-3,5-XYLBINAP, J2.876.486C, 3-(benzylamino)-4-ethoxy-cyclobut-3-ene-1,2-dione
Technical Specifications
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
| SMILES | CCOC1=C(C(=O)C1=O)NCC2=CC=CC=C2 |
| InChIKey | JFBJJNQPIJHMPP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione
Property Insights of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione?
The CAS number of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione is 144913-06-4.
What is the molecular formula of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione?
The molecular formula of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione is C13H13NO3.
What is the molecular weight of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione?
The molecular weight of 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione is 231.08954 g/mol.
Where can I buy 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione?
You can request a quote for 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione?
Yes, CoreyChem provides custom synthesis services for 3-(Benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.