![CAS 1257303-72-2 Carbamic acid, N-[(1R,3S)-3-hydroxycyclohexyl]-, phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257303-72-2.gif)
CAS RN: 1257303-72-2
Carbamic acid, N-[(1R,3S)-3-hydroxycyclohexyl]-, phenylmethyl ester
- Product code: SSC-030995
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: >95%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1257303-72-2 / benzyl N-[(1R,3S)-3-hydroxycyclohexyl]carbamate
Basic Information
CAS
1257303-72-2
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
C1C[C@H](C[C@H](C1)O)NC(=O)OCC2=CC=CC=C2
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+/m1/s1
InChIKey
FYIZIYCXUSGNLZ-OLZOCXBDSA-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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