(Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide
TL;DR: (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide (CAS 900271-48-9) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide
Also Known As: (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide, N-[(1Z)-1-{1-cyano-2-[(3-methylbutyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]thiophene-2-carboxamide, N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.33528 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 997.66296 |
Chemical Identifiers
| CAS Number | 900271-48-9 |
|---|---|
| SMILES | CC(C)CCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CS3)/C#N |
Product Overview
(Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide (CAS 900271-48-9), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide.
Chemical Property Profile of (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide
Property Insights of (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide
The XLogP value of 3.33528 indicates that (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide. Following Lipinski's Rule of Five, (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide 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 (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
The CAS number of (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide is 900271-48-9.
What is the molecular formula of (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
The molecular formula of (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide is C21H20N4O2S.
What is the molecular weight of (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
The molecular weight of (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide is 392.13 g/mol.
Where can I buy (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
You can request a quote for (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1-(1-cyano-2-(isopentylamino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.