![2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid structure](/static/products/370/370577-10-9.png)
2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid
TL;DR: 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid (CAS 370577-10-9) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13 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-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid
Also Known As: 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid, 2-[(5-cyano-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.58148 |
| Topological Polar Surface Area | 86.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 706.0128 |
Chemical Identifiers
| CAS Number | 370577-10-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=C2C#N)SCC(=O)O)N3CCCC3)C |
Product Overview
2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid (CAS 370577-10-9), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: 2-[(5-cyano-3,3-dimethyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid
Property Insights of 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid
The XLogP value of 2.58148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[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-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid has 1 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 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
The CAS number of 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid is 370577-10-9.
What is the molecular formula of 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
The molecular formula of 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid is C17H21N3O3S.
What is the molecular weight of 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
The molecular weight of 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid is 347.13 g/mol.
Where can I buy 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
You can request a quote for 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[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-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.