1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione
TL;DR: 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione (CAS 448237-87-4) is a chemical compound with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione
Also Known As: 1-benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione, 1-Benzyl-3-chloro-4-[(prop-2-en-1-yl)amino]-1H-pyrrole-2,5-dione
| Molecular Formula | C14H13ClN2O2 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.7814 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.06656 |
| Heavy Atoms | 19 |
| Complexity | 551.8242 |
Chemical Identifiers
| CAS Number | 448237-87-4 |
|---|---|
| SMILES | C=CCNC1=C(C(=O)N(C1=O)CC2=CC=CC=C2)Cl |
Product Overview
1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione (CAS 448237-87-4), with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol. IUPAC: 1-benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione.
Chemical Property Profile of 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione
Property Insights of 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione
The XLogP value of 1.7814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione has 1 hydrogen bond donor(s) and 3 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 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione?
The CAS number of 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione is 448237-87-4.
What is the molecular formula of 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione?
The molecular formula of 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione is C14H13ClN2O2.
What is the molecular weight of 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione?
The molecular weight of 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione is 276.07 g/mol.
Where can I buy 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione?
You can request a quote for 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.