![CAS 1673534-99-0 Carbamic acid, N-[(1R)-1-cyano-2-(1,1-dimethylethoxy)ethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1673534-99-0.gif)
CAS RN: 1673534-99-0
Carbamic acid, N-[(1R)-1-cyano-2-(1,1-dimethylethoxy)ethyl]-, 1,1-dimethylethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1673534-99-0
- Purity/Analytical Methods: >99.0%
1673534-99-0 / tert-butyl N-[(1R)-1-cyano-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
Basic Information
CAS
1673534-99-0
Multi CAS
No
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(C)(C)OC[C@@H](C#N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)16-8-9(7-13)14-10(15)17-12(4,5)6/h9H,8H2,1-6H3,(H,14,15)/t9-/m1/s1
InChIKey
SJJOECCNWILPJF-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.48
TPSA
71.35
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
1.6
Consensus LogP
1.93
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.62
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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