![2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid structure](/static/products/204/204775-48-4.png)
2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid
TL;DR: 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid (CAS 204775-48-4) is a chemical compound with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid
Also Known As: 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid, 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid
| Molecular Formula | C17H21N3O3S2 |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 2.53448 |
| Topological Polar Surface Area | 86.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.10245 |
| Heavy Atoms | 25 |
| Complexity | 724.82874 |
Chemical Identifiers
| CAS Number | 204775-48-4 |
|---|---|
| SMILES | CC1(CC2=C(CS1)C(=NC(=C2C#N)SCC(=O)O)N3CCOCC3)C |
Product Overview
2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid (CAS 204775-48-4), with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol. IUPAC: 2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid
Property Insights of 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid
The XLogP value of 2.53448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid. The TPSA of 86.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid has 1 hydrogen bond donor(s) and 7 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 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
The CAS number of 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid is 204775-48-4.
What is the molecular formula of 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
The molecular formula of 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid is C17H21N3O3S2.
What is the molecular weight of 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
The molecular weight of 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid is 379.10 g/mol.
Where can I buy 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
You can request a quote for 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.