CAS RN: 2098259-68-6
(S)-tert-butyl 2-(((S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)pentanoate hydrochloride
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.20250819 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2098259-68-6
- Purity/Analytical Methods: >99.0%
2098259-68-6 / tert-butyl (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoate;hydrochloride
Basic Information
CAS
2098259-68-6
Multi CAS
No
Molecular Formula
C19H28ClF2NO2
Molecular Weight
375.900000
Exact Mass
375.177663
SMILES
CCC[C@@H](C(=O)OC(C)(C)C)N[C@H]1CCC2=C(C1)C(=CC(=C2)F)F.Cl
InChI
InChI=1S/C19H27F2NO2.ClH/c1-5-6-17(18(23)24-19(2,3)4)22-14-8-7-12-9-13(20)10-16(21)15(12)11-14;/h9-10,14,17,22H,5-8,11H2,1-4H3;1H/t14-,17-;/m0./s1
InChIKey
XMADDNFHCBQKTN-RVXRQPKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.1
TPSA
38.33
LogP / Solubility
WLOGP
4.34
MLOGP
3.84
XLogP3
4.34
Consensus LogP
4.17
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
2-Ethoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- CAS RN: 2098425-93-3
- Product Code: SSC-099748
-
2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- CAS RN: 2098426-15-2
- Product Code: SSC-099749
-
1-(4-Methoxyphenyl)-6-(4-(2-Methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide
- CAS RN: 2098457-92-0
- Product Code: starshine_CAS2098457-92-0
- Purity/Analytical method: >99.0%
-
2-(2,6-dioxopiperidin-3-yl)-4-(prop-2-yn-1-yloxy)isoindoline-1,3-dione
- CAS RN: 2098487-39-7
- Product Code: SSC-099753
-
2-(2,6-Dioxo-3-piperidinyl)-4-[2-[2-(2-propyn-1-yloxy)oxy]ethoxy]-1H-isoindole-1,3(2H)dione
- CAS RN: 2098487-52-4
- Product Code: SSC-099754
-
N-(4-azidobutyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide
- CAS RN: 2098488-36-7
- Product Code: SSC-099756
![CAS 2098457-92-0 1-(4-Methoxyphenyl)-6-(4-(2-Methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02681131.gif)
![CAS 2098487-52-4 2-(2,6-Dioxo-3-piperidinyl)-4-[2-[2-(2-propyn-1-yloxy)oxy]ethoxy]-1H-isoindole-1,3(2H)dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098487-52-4.png)
