CAS RN: 750649-44-6
Benzyl (1S,3S)-3-Hydroxycyclohexylcarbamate
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.20260428 | 100mg / 500mg / 1g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-184584
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
750649-44-6 / benzyl N-[(1S,3S)-3-hydroxycyclohexyl]carbamate
Basic Information
CAS
750649-44-6
Multi CAS
Yes
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
InChI
InChI=1S/C14H19NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13-/m0/s1
InChIKey
FYIZIYCXUSGNLZ-STQMWFEESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.03
TPSA
58.56
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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