CAS RN: 116857-05-7
trans-4,5-Dichloro-4,5-diMethyl-1,3-dioxolan-2-one
- Product code: SSC-016736
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: 0.05g, 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.05g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
116857-05-7 / (4S,5S)-4,5-dichloro-4,5-dimethyl-1,3-dioxolan-2-one
trans-4,5-Dichloro-4,5-dimethyl-1,3-dioxolan-2-one | SCHEMBL29713542 | Olmesartan Medoxomil Impurity 128
Basic Information
CAS
116857-05-7
Multi CAS
Yes
Molecular Formula
C5H6Cl2O3
Molecular Weight
185.000000
Exact Mass
183.969399
SMILES
C[C@@]1([C@](OC(=O)O1)(C)Cl)Cl
InChI
InChI=1S/C5H6Cl2O3/c1-4(6)5(2,7)10-3(8)9-4/h1-2H3/t4-,5-/m1/s1
InChIKey
CYWTZUGZRSAQEN-RFZPGFLSSA-N
Synonyms
trans-4,5-Dichloro-4,5-dimethyl-1,3-dioxolan-2-one
SCHEMBL29713542
Olmesartan Medoxomil Impurity 128
SY422472
DB-309440
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
H-bond acceptors
3
Molar refractivity
36.08
TPSA
35.53
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.38
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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