J1.144.196C
TL;DR: J1.144.196C (CAS 177476-74-3) is a chemical compound with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-ethylbenzonitrile
Also Known As: J1.144.196C, (+)-(R)-4-[3,4-dioxo-2-(1,2,2-trimethyl-propylamino)-cyclobut-1-enylamino]-3-ethylbenzonitrile, 4-[[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-ethylbenzonitrile, 3-Ethyl-4-[[2-[[(R)-1,2,2-trimethylpropyl]amino]-3,4-dioxo-1-cyclobutene-1-yl]amino]benzonitrile, 3-Ethyl-4-[2-[[(1R)-1,2,2-trimethylpropyl]amino]-3,4-dioxo-1-cyclobutenylamino]benzonitrile
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 3.30678 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 862.275 |
Chemical Identifiers
| CAS Number | 177476-74-3 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)C#N)NC2=C(C(=O)C2=O)N[C@H](C)C(C)(C)C |
Product Overview
J1.144.196C (CAS 177476-74-3), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: 4-[[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-ethylbenzonitrile.
Chemical Property Profile of J1.144.196C
Property Insights of J1.144.196C
The XLogP value of 3.30678 indicates that J1.144.196C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.144.196C. Following Lipinski's Rule of Five, J1.144.196C has 2 hydrogen bond donor(s) and 5 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 J1.144.196C?
The CAS number of J1.144.196C is 177476-74-3.
What is the molecular formula of J1.144.196C?
The molecular formula of J1.144.196C is C19H23N3O2.
What is the molecular weight of J1.144.196C?
The molecular weight of J1.144.196C is 325.18 g/mol.
Where can I buy J1.144.196C?
You can request a quote for J1.144.196C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.144.196C?
Yes, KEHONG BIO provides custom synthesis services for J1.144.196C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.