9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
TL;DR: 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 459791-79-8) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-pyridin-3-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Also Known As: IFLab1_005943, IDI1_011346, F1403-0071, J2.450.246E, 9-(pyridine-3-yl)-1,8-dioxo-octahydroxanthene
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.2096 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 673.1076 |
Chemical Identifiers
| CAS Number | 459791-79-8 |
|---|---|
| SMILES | C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CN=CC=C4)C(=O)C1 |
Product Overview
9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 459791-79-8), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 9-pyridin-3-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Property Insights of 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
The XLogP value of 3.2096 indicates that 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione has 0 hydrogen bond donor(s) and 4 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 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The CAS number of 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 459791-79-8.
What is the molecular formula of 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular formula of 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is C18H17NO3.
What is the molecular weight of 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular weight of 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 295.12 g/mol.
Where can I buy 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
You can request a quote for 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(pyridin-3-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.