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: 100g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
3003-84-7 / 2-(chloromethyl)oxolane
Basic Information
CAS
3003-84-7
Multi CAS
Yes
Molecular Formula
C5H9CLO
Molecular Weight
120.580000
Exact Mass
120.034193
InChI
InChI=1S/C5H9ClO/c6-4-5-2-1-3-7-5/h5H,1-4H2
InChIKey
IVJLGIMHHWKRAN-UHFFFAOYSA-N
Physical Properties
Boiling Point
150-151 °C
Density
1.110 @ 25 °C
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.69
TPSA
9.23
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.46
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
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