龙胆碱
TL;DR: 龙胆碱 (CAS 439-89-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
龙胆碱
4-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
Also Known As: Gentianine, 4CN-1211, 4-vinyl-3,4-dihydro-1h-pyrano[3,4-c]pyridin-1-one, 2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide, 4-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 439-89-4 |
|---|---|
| SMILES | C=CC1COC(=O)C2=C1C=CN=C2 |
| InChIKey | SXQJTAWFIBJTMW-UHFFFAOYSA-N |
Product Overview
龙胆碱 (CAS 439-89-4), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 4-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one.
Chemical Property Profile of 龙胆碱
Property Insights of 龙胆碱
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 龙胆碱. With a topological polar surface area (TPSA) of 39.2 Ų, 龙胆碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 龙胆碱 has 0 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 龙胆碱?
The CAS number of 龙胆碱 is 439-89-4.
What is the molecular formula of 龙胆碱?
The molecular formula of 龙胆碱 is C10H9NO2.
What is the molecular weight of 龙胆碱?
The molecular weight of 龙胆碱 is 175.06 g/mol.
Where can I buy 龙胆碱?
You can request a quote for 龙胆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 龙胆碱?
Yes, KEHONG BIO provides custom synthesis services for 龙胆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.