![2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile structure](/static/products/4382/438224-76-1.webp)
2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 438224-76-1) is a chemical compound with molecular formula C22H20ClN3S2 and molecular weight 425.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methylthiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-amino-4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methylthiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C22H20ClN3S2 |
|---|---|
| Molecular Weight | 425.08 g/mol |
| LogP | 6.3969 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0787 |
| Heavy Atoms | 28 |
| Complexity | 1064.8665 |
Chemical Identifiers
| CAS Number | 438224-76-1 |
|---|---|
| SMILES | CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCC3)N)C#N)CSC4=CC=C(C=C4)Cl |
Product Overview
2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 438224-76-1), with molecular formula C22H20ClN3S2 and molecular weight 425.08 g/mol. IUPAC: 2-amino-4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methylthiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
The XLogP value of 6.3969 indicates that 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 438224-76-1.
What is the molecular formula of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is C22H20ClN3S2.
What is the molecular weight of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 425.08 g/mol.
Where can I buy 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.