CAS RN: 1109284-37-8
tert-butyl ((1R,2R)-2-aMino-3,3-difluorocyclohexyl)carbaMate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250704 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1109284-37-8
- Purity/Analytical Methods: >99.0%
1109284-37-8 / tert-butyl N-[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamate
tert-Butyl ((1R,2R)-2-amino-3,3-difluorocyclohexyl)carbamate | tert-butyl N-[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamate | MFCD21608662
Basic Information
CAS
1109284-37-8
Multi CAS
Yes
Molecular Formula
C11H20F2N2O2
Molecular Weight
250.290000
Exact Mass
250.149284
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCC([C@@H]1N)(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-7-5-4-6-11(12,13)8(7)14/h7-8H,4-6,14H2,1-3H3,(H,15,16)/t7-,8-/m1/s1
InChIKey
DYJOFFLXKZIGKK-HTQZYQBOSA-N
Synonyms
tert-Butyl ((1R,2R)-2-amino-3,3-difluorocyclohexyl)carbamate
tert-butyl N-[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamate
MFCD21608662
tert-butyl [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamate
starbld0016974
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.93
TPSA
64.35
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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