CAS RN: 478646-26-3
S)-2-N-CBZ-AMINO-PENTANE-1,5-DIOL
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS926483
478646-26-3 / benzyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate
Basic Information
CAS
478646-26-3
Multi CAS
Yes
Molecular Formula
C13H19NO4
Molecular Weight
253.290000
Exact Mass
253.131408
InChI
InChI=1S/C13H19NO4/c15-8-4-7-12(9-16)14-13(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,7-10H2,(H,14,17)/t12-/m0/s1
InChIKey
QONUZQBHASYEAL-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.96
TPSA
78.79
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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