CAS RN: 914082-74-9
VVOOIFQERLCXQE-SIZQZZMJSA-N
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.20251023 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS914082-74-9
- Purity/Analytical Methods: >99.0%
914082-74-9 / (2S)-2-amino-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid
Basic Information
CAS
914082-74-9
Multi CAS
Yes
Molecular Formula
C8F3H10NO2
Molecular Weight
209.170000
Exact Mass
209.066363
InChI
InChI=1S/C8H10F3NO2/c9-8(10,11)7-1-6(2-7,3-7)4(12)5(13)14/h4H,1-3,12H2,(H,13,14)/t4-,6?,7?/m1/s1
InChIKey
VVOOIFQERLCXQE-SIZQZZMJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.38
TPSA
63.32
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
-1.4
Consensus LogP
0.24
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
2-(3-CHLORO-4-FLUOROPHENOXY)ETHYLAMINEHYDROCHLORIDE
- CAS RN: 914086-51-4
- Product Code: SSC-204445
-
1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluorohexadecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
- CAS RN: 914087-65-3
- Product Code: starshine_CAS914087-65-3
- Purity/Analytical method: >99.0%
-
3H-IMidazo[4,5-b]pyridine-2-MethanaMine (hydrochloride)(1:2)
- CAS RN: 914087-69-7
- Product Code: SSC-204447
-
PGUQU 4F
- CAS RN: 914087-74-4
- Product Code: starshine_CAS914087-74-4
- Purity/Analytical method: >99.0%
-
(S)-(+)-[(R)-2-DICYCLOHEXYLPHOSPHINOFERROCENYL](N,N-DIMETHYLAMINO)(2-DICYCLOHEXYLPHOSPHINOPHENYL)METHANE
- CAS RN: 914089-00-2
- Product Code: SSC-204448
-
[2-(4-(broMoMethyl)phenyl)ethyl]carbaMic acid tert-butyl ester
- CAS RN: 914103-95-0
- Product Code: SSC-204450
![CAS 914087-65-3 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluorohexadecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914087-65-3.gif)
![CAS 914087-69-7 3H-IMidazo[4,5-b]pyridine-2-MethanaMine (hydrochloride)(1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914087-69-7.gif)
(2-DICYCLOHEXYLPHOSPHINOPHENYL)METHANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914089-00-2.gif)
![CAS 914103-95-0 [2-(4-(broMoMethyl)phenyl)ethyl]carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914103-95-0.gif)