![2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid structure](/static/products/6278/627871-23-2.webp)
2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
TL;DR: 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid (CAS 627871-23-2) is a chemical compound with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Also Known As: 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid, (1S)-5-Cyano-6-fluoro-1,3,4,9-tetrahydro-8-methyl-1-propylpyrano[3,4-b]indole-1-acetic acid, (R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid, [(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid, Pyrano[3,4-b]indole-1-acetic acid, 5-cyano-6-fluoro-1,3,4,9-tetrahydro-8-methyl-1-propyl-, (1S)-
| Molecular Formula | C18H19FN2O3 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 3.5299 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.13797 |
| Heavy Atoms | 24 |
| Complexity | 865.49664 |
Chemical Identifiers
| CAS Number | 627871-23-2 |
|---|---|
| SMILES | CCC[C@@]1(C2=C(CCO1)C3=C(N2)C(=CC(=C3C#N)F)C)CC(=O)O |
Product Overview
2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid (CAS 627871-23-2), with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol. IUPAC: 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid.
Chemical Property Profile of 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Property Insights of 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
The XLogP value of 3.5299 indicates that 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid. Following Lipinski's Rule of Five, 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid has 2 hydrogen bond donor(s) and 3 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-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid?
The CAS number of 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid is 627871-23-2.
What is the molecular formula of 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid?
The molecular formula of 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid is C18H19FN2O3.
What is the molecular weight of 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid?
The molecular weight of 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid is 330.14 g/mol.
Where can I buy 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid?
You can request a quote for 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]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-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.