![CAS 2230200-76-5 Methyl (S)-2-(Chloromethyl)-1-(2-oxetanylmethyl)-1H-benzo[d]imidazole-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2230200-76-5.gif)
CAS RN: 2230200-76-5
Methyl (S)-2-(Chloromethyl)-1-(2-oxetanylmethyl)-1H-benzo[d]imidazole-6-carboxylate
- Product code: SSC-108594
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, 5g, 10g, 25g, 1g, 100g
- Available purity: >98%
- Inventory rows with stock: 7
- 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 | >98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 3 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 1 In Stock | Shanghai | Inquiry |
2230200-76-5 / methyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
Basic Information
CAS
2230200-76-5
Multi CAS
No
Molecular Formula
C14H15ClN2O3
Molecular Weight
294.730000
Exact Mass
294.077120
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(N2C[C@@H]3CCO3)CCl
InChI
InChI=1S/C14H15ClN2O3/c1-19-14(18)9-2-3-11-12(6-9)17(13(7-15)16-11)8-10-4-5-20-10/h2-3,6,10H,4-5,7-8H2,1H3/t10-/m0/s1
InChIKey
SLQIJFSQRNXACV-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
74.99
TPSA
53.35
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
1.7
Consensus LogP
2.04
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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