CAS RN: 485-64-3
Hydrocinchonidine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
- Product code: ICTH1702
- Purity/Analytical Methods: >98.0%(T)(HPLC)
485-64-3 / (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
Basic Information
CAS
485-64-3
Multi CAS
Yes
Molecular Formula
C19H24N2O
Molecular Weight
296.400000
Exact Mass
296.188863
InChI
InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3
InChIKey
WFJNHVWTKZUUTR-UHFFFAOYSA-N
Physical Properties
Melting Point
268 - 269 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.57
TPSA
36.36
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
2.9
Consensus LogP
3.09
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8
Customers Also Viewed
-
![CAS 1440939-88-7 N-[(9S)-8α-Cinchonan-9-yl]quinoline-8-sulfonamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-[(9S)-8α-Cinchonan-9-yl]quinoline-8-sulfonamide
- CAS RN: 1440939-88-7
- Product Code: ICTC2728
- Purity/Analytical method: >98.0%(HPLC)
-
-
(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
- CAS RN: 862095-77-0
- Product Code: SSC-195103
-
-
-
(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane
- CAS RN: 109306-21-0
- Product Code: SSC-010555
![CAS 1440939-88-7 N-[(9S)-8α-Cinchonan-9-yl]quinoline-8-sulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2728-jpgcontextbwfzdgvyfhjvb3r8ndeyntl8aw1hz2uvanblz3xonmmvadmxlzg5mjk1nzy2mtu5njyvqzi3mjguanbnfde5nzrhyzy1zja3yzc4mtcxzda0nmy1mgzjzgrmztczntrmyzm1mgq0nje4mgywmdy0ntm3ndq5ndnkmdi4m2y.jpeg)
![CAS 862095-77-0 (R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3592-jpgcontextbwfzdgvyfhjvb3r8mzazndd8aw1hz2uvanblz3xonmivagixlzg5mjg5nzm3ntazmdivqjm1otiuanbnfde4ognjzdmyndyxmdjlzjgzzdvkmzdjytawmza2mmzhowi1mgjknzzknzdjmtg1nwezmje4zwzmmja4n2mymzm.jpeg)
![CAS 109306-21-0 (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1615-jpgcontextbwfzdgvyfhjvb3r8nti1ntr8aw1hz2uvanblz3xongyvadjilzg5mjg3mzkzmjgwmzavqje2mtuuanbnfduxmgjmyte5yjg5mwu1mtfiodhhntiwmtdjzji5mwvhndjmmjk1ytviztywmgvkmjc1nmm4ytq5y2i4yzkwmwy.jpeg)