3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide
TL;DR: 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide (CAS 775314-86-8) is a chemical compound with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide
Also Known As: 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide, (E)-3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide
| Molecular Formula | C12H8ClN3O |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 2.21358 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.03558 |
| Heavy Atoms | 17 |
| Complexity | 663.93085 |
Chemical Identifiers
| CAS Number | 775314-86-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)/C=C(\C#N)/C(=O)N)Cl |
Product Overview
3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide (CAS 775314-86-8), with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol. IUPAC: (E)-3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide
Property Insights of 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide
The XLogP value of 2.21358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide has 2 hydrogen bond donor(s) and 2 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-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide?
The CAS number of 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide is 775314-86-8.
What is the molecular formula of 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide?
The molecular formula of 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide is C12H8ClN3O.
What is the molecular weight of 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide?
The molecular weight of 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide is 245.04 g/mol.
Where can I buy 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide?
You can request a quote for 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.