N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide
TL;DR: N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide (CAS 143306-00-7) is a chemical compound with molecular formula C22H25ClN4O2S and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-aminoethyl)-N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
Also Known As: W 66, W-66, 5-Isoquinolinesulfonamide,N-(2-aminoethyl)-N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-, N-(2-Aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide, N-(2-aminoethyl)-N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
| Molecular Formula | C22H25ClN4O2S |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.13867 |
| Heavy Atoms | 30 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 143306-00-7 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCN)CCNCC=CC3=CC=C(C=C3)Cl |
| InChIKey | DSFZLDPXONYEAS-UHFFFAOYSA-N |
Product Overview
N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide (CAS 143306-00-7), with molecular formula C22H25ClN4O2S and molecular weight 444.14 g/mol. IUPAC: N-(2-aminoethyl)-N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide.
Chemical Property Profile of N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide
Property Insights of N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide. Following Lipinski's Rule of Five, N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide has 2 hydrogen bond donor(s) and 6 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 N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide?
The CAS number of N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide is 143306-00-7.
What is the molecular formula of N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide?
The molecular formula of N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide is C22H25ClN4O2S.
What is the molecular weight of N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide?
The molecular weight of N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide is 444.14 g/mol.
Where can I buy N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide?
You can request a quote for N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-aminoethyl)-N-(2-(4-chlorocinnamylamino)ethyl)-5-isoquinolinesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.