CAS RN: 850033-74-8
R-2-N-CBZ-propane-1,2-diaMine-HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250528 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS850033-74-8
- Purity/Analytical Methods: >99.0%
850033-74-8 / benzyl N-(1-aminopropan-2-yl)carbamate;hydrochloride
Basic Information
CAS
850033-74-8
Multi CAS
Yes
Molecular Formula
C11H17CLN2O2
Molecular Weight
244.720000
Exact Mass
244.097856
InChI
InChI=1S/C11H16N2O2.ClH/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H
InChIKey
XTQGLCRZNBCNJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.53
TPSA
64.35
LogP / Solubility
WLOGP
1.68
MLOGP
1.49
XLogP3
1.68
Consensus LogP
1.62
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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