![3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/585/585550-99-8.png)
3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 585550-99-8) is a chemical compound with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-8-morpholin-4-yl-6-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 3,3-DIMETHYL-8-(MORPHOLIN-4-YL)-6-{[(4-NITROPHENYL)METHYL]SULFANYL}-1H,3H,4H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE, 3,3-dimethyl-8-morpholin-4-yl-6-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-8-morpholino-6-((4-nitrobenzyl)thio)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 3.84168 |
| Topological Polar Surface Area | 101.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 1027.2869 |
Chemical Identifiers
| CAS Number | 585550-99-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=C2C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)C |
Product Overview
3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 585550-99-8), with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol. IUPAC: 3,3-dimethyl-8-morpholin-4-yl-6-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 3.84168 indicates that 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has 0 hydrogen bond donor(s) and 8 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-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 585550-99-8.
What is the molecular formula of 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C22H24N4O4S.
What is the molecular weight of 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 440.15 g/mol.
Where can I buy 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-8-(morpholin-4-yl)-6-[(4-nitrobenzyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.