CAS RN: 927689-70-1
(1R,2S)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251107 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926386
927689-70-1 / (1R,2S)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
Basic Information
CAS
927689-70-1
Multi CAS
Yes
Molecular Formula
C9FH11InO
Molecular Weight
295.090000
Exact Mass
294.986940
InChI
InChI=1S/C9H11FINO/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-9,13H,5,12H2/t8-,9-/m1/s1
InChIKey
RDKFSDYKXXYXJM-RKDXNWHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.07
TPSA
46.25
LogP / Solubility
WLOGP
1.62
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
(2S,3R)-2-Acetamido-3-(tert-butoxy)butanoic acid
- CAS RN: 163277-80-3
- Product Code: SSC-070938
-
(2S,3R)-3-Methoxy-2-((Methoxycarbonyl)aMino)butanoic acid, 97%(HPLC)
- CAS RN: 1007881-21-1
- Product Code: LINS926682
-
-
(2S,3R,4S,5S,6R)-6-((Trityloxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
- CAS RN: 54325-28-9
- Product Code: LINS898052
-
(2S,3S)-2-Amino-3-hydroxy-4-methylpentanoic acid
- CAS RN: 10148-70-6
- Product Code: LINS898689
-
(2S,3S)-Methyl 2-amino-3-hydroxybutanoate hydrochloride
- CAS RN: 79617-27-9
- Product Code: SSC-188744
