CAS RN: 202917-18-8
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-, (aR,4S)-rel- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260316 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS202917-18-8
- Purity/Analytical Methods: >99.0%
202917-18-8 / 5-fluoro-2-[(4S)-3-[(1R)-1-hydroxyethyl]-2,6-di(propan-2-yl)-5-propyl-1,4-dihydropyridin-4-yl]phenol
Basic Information
CAS
202917-18-8
Multi CAS
No
Molecular Formula
C22H32FNO2
Molecular Weight
361.500000
Exact Mass
361.241707
SMILES
CCCC1=C(NC(=C([C@H]1C2=C(C=C(C=C2)F)O)[C@@H](C)O)C(C)C)C(C)C
InChI
InChI=1S/C22H32FNO2/c1-7-8-17-20(16-10-9-15(23)11-18(16)26)19(14(6)25)22(13(4)5)24-21(17)12(2)3/h9-14,20,24-26H,7-8H2,1-6H3/t14-,20+/m1/s1
InChIKey
OINVVPOIGFSNHM-VLIAUNLRSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
104.26
TPSA
52.49
LogP / Solubility
WLOGP
5.22
MLOGP
4.61
XLogP3
4.6
Consensus LogP
4.81
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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- CAS RN: 202921-55-9
- Product Code: starshine_CAS202921-55-9
- Purity/Analytical method: >99.0%
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