CAS RN: 1173239-39-8
PF 03463275
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.20250722 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1173239-39-8
- Purity/Analytical Methods: >99.0%
1173239-39-8 / N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
PF-3463275 | RefChem:928936 | PF-03463275
Basic Information
CAS
1173239-39-8
Multi CAS
Yes
Molecular Formula
C19H22ClFN4O
Molecular Weight
376.900000
Exact Mass
376.146617
SMILES
CN1C[C@@H]2[C@H](C1)C2CN(CC3=CC(=C(C=C3)F)Cl)C(=O)C4=CN(C=N4)C
InChI
InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?
InChIKey
KYLOBHXXQOZRKK-YIONKMFJSA-N
Synonyms
PF-3463275
RefChem:928936
PF-03463275
N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
3U6T9EE6UX
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
97.33
TPSA
41.37
LogP / Solubility
WLOGP
2.66
MLOGP
2.36
XLogP3
2.4
Consensus LogP
2.47
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid
- CAS RN: 1173246-76-8
- Product Code: SSC-017189
-
2-(METHYLAMINO)-N-(4-MORPHOLIN-4-YLPHENYL)ACETAMIDE DIHYDROCHLORIDE
- CAS RN: 1173250-08-2
- Product Code: SSC-017190
-
[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
- CAS RN: 1173266-46-0
- Product Code: SSC-017192
-
5,6,7 – TRIMETHOXY – QUINAZOLIN – 4(3H) – ONE
- CAS RN: 1173284-43-9
- Product Code: starshine_CAS1173284-43-9
- Purity/Analytical method: >99.0%
-
(1R,3S,4S,5S)-2-tert-butyl 3-ethyl 5-fluoro-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
- CAS RN: 1173294-24-0
- Product Code: starshine_CAS1173294-24-0
- Purity/Analytical method: >99.0%
-
Ethyl (1S,3S,4S,5S)-rel-2-Boc-5-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxylate
- CAS RN: 1173294-47-7
- Product Code: starshine_CAS1173294-47-7
- Purity/Analytical method: >99.0%
![CAS 1173266-46-0 [1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173266-46-0.gif)
![CAS 1173294-24-0 (1R,3S,4S,5S)-2-tert-butyl 3-ethyl 5-fluoro-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173294-24-0.gif)
![CAS 1173294-47-7 Ethyl (1S,3S,4S,5S)-rel-2-Boc-5-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173294-47-7.gif)