![CAS 250659-32-6 Carbamic acid, (1alpha,3alpha,5alpha)-6-oxabicyclo[3.1.0]hex-3-yl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/250659-32-6.gif)
CAS RN: 250659-32-6
Carbamic acid, (1alpha,3alpha,5alpha)-6-oxabicyclo[3.1.0]hex-3-yl-, 1,1-dimethylethyl ester
- Product code: SSC-120574
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
250659-32-6 / tert-butyl N-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate
Basic Information
CAS
250659-32-6
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CC(C)(C)OC(=O)NC1C[C@@H]2[C@H](C1)O2
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-6-4-7-8(5-6)13-7/h6-8H,4-5H2,1-3H3,(H,11,12)/t6?,7-,8+
InChIKey
GUVWHGMHXIFPGI-IEESLHIDSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.05
TPSA
50.86
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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