3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione
TL;DR: 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione (CAS 175204-29-2) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione
Also Known As: (+/-)-Neomenthol, 3-ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione, J2.529.670B, 3,4-di(propylamino)cyclobut-3-ene-1,2-dione, 2-ethoxy-3-propylamino-cyclobut-2-ene-1,4-dione
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 0.5032 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 349.51746 |
Chemical Identifiers
| CAS Number | 175204-29-2 |
|---|---|
| SMILES | CCCNC1=C(C(=O)C1=O)OCC |
Product Overview
3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione (CAS 175204-29-2), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: 3-ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione
Property Insights of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione
The XLogP value of 0.5032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-4-(propylamino)cyclobut-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
Frequently Asked Questions
What is the CAS number of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione?
The CAS number of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione is 175204-29-2.
What is the molecular formula of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione?
The molecular formula of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione is C9H13NO3.
What is the molecular weight of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione?
The molecular weight of 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione is 183.09 g/mol.
Where can I buy 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione?
You can request a quote for 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-4-(propylamino)cyclobut-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.