![CAS 80312-74-9 Carbamic acid, [(2S)-2-amino-3-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/80312-74-9.gif)
CAS RN: 80312-74-9
Carbamic acid, [(2S)-2-amino-3-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI)
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.20250805 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS80312-74-9
- Purity/Analytical Methods: >99.0%
80312-74-9 / tert-butyl N-[(2S)-2-amino-3-hydroxypropyl]carbamate
Basic Information
CAS
80312-74-9
Multi CAS
Yes
Molecular Formula
C8H18N2O3
Molecular Weight
190.240000
Exact Mass
190.131742
InChI
InChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-4-6(9)5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKey
PCTCLLZTTRWASL-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
49.3
TPSA
84.58
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.6
Consensus LogP
-0.31
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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