CAS RN: 123168-30-9
5-Deoxy-L-ribose phenylhydrazone
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.20260414 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND888620
123168-30-9 / (1E,2R,3S,4S)-1-(phenylhydrazinylidene)pentane-2,3,4-triol
Basic Information
CAS
123168-30-9
Multi CAS
No
Molecular Formula
C11H16N2O3
Molecular Weight
224.260000
Exact Mass
224.116092
SMILES
C[C@@H]([C@@H]([C@@H](/C=N/NC1=CC=CC=C1)O)O)O
InChI
InChI=1S/C11H16N2O3/c1-8(14)11(16)10(15)7-12-13-9-5-3-2-4-6-9/h2-8,10-11,13-16H,1H3/b12-7+/t8-,10+,11-/m0/s1
InChIKey
BIVHIDUIIIYYKK-REHQUHHLSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
4
Molar refractivity
62.25
TPSA
85.08
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
XLogP3
0.9
Consensus LogP
0.42
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
