![2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile structure](/static/products/4382/438223-14-4.webp)
2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
TL;DR: 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 438223-14-4) is a chemical compound with molecular formula C24H24ClN3S2 and molecular weight 453.11 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]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-amino-4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methylthiophen-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-AMINO-4-(4-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-5-METHYL-2-THIENYL)-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA[B]PYRIDIN-3-YL CYANIDE
| Molecular Formula | C24H24ClN3S2 |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 7.1771 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.11002 |
| Heavy Atoms | 30 |
| Complexity | 1097.1194 |
Chemical Identifiers
| CAS Number | 438223-14-4 |
|---|---|
| SMILES | CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)CSC4=CC=C(C=C4)Cl |
Product Overview
2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 438223-14-4), with molecular formula C24H24ClN3S2 and molecular weight 453.11 g/mol. IUPAC: 2-amino-4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methylthiophen-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Property Insights of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
The XLogP value of 7.1771 indicates that 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile 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)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile 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)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The CAS number of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 438223-14-4.
What is the molecular formula of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular formula of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is C24H24ClN3S2.
What is the molecular weight of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular weight of 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 453.11 g/mol.
Where can I buy 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
You can request a quote for 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile 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)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.