CAS RN: 80841-78-7

4-Chloromethyl-5-methyl-1,3-dioxol-2-one

Product Availability

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11 package records10 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100g In stock Shanghai, Shandong Inquiry
Batchno.20260319 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250228 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260416 1kg In stock Shandong Inquiry
Batchno.20251129 1kg Out of stock Inquiry
Batchno.20250928 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251026 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251216 500g In stock Shanghai Inquiry
Batchno.20251112 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260303 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260203 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-189475
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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: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80841-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

80841-78-7 / 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one

Standard CAS: 80841-78-7 Multi CAS: Yes

Basic Information

CAS
80841-78-7
Multi CAS
Yes
Molecular Formula
C5H5CLO3
Molecular Weight
148.540000
Exact Mass
147.992722
InChI
InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChIKey
QCLFSYYUWPUWQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
31.54
TPSA
43.35

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.72

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
1.5

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