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CAS 111252-41-6 (2E)-3-(5-methyl-2-furyl)acryloyl chloride molecular structure lightbox
CAS RN: 111252-41-6

(2E)-3-(5-methyl-2-furyl)acryloyl chloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012083
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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: 5g
  • Available purity: ≥95%
  • 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 111252-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

111252-41-6 / (E)-3-(5-methylfuran-2-yl)prop-2-enoyl chloride

(2E)-3-(5-METHYL-2-FURYL)ACRYLOYL CHLORIDE | MFCD12198075 | (2E)-3-(5-methylfuran-2-yl)prop-2-enoyl chloride

Standard CAS: 111252-41-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
111252-41-6
Multi CAS
Yes
Molecular Formula
C8H7ClO2
Molecular Weight
170.590000
Exact Mass
170.013457
SMILES
CC1=CC=C(O1)/C=C/C(=O)Cl
InChI
InChI=1S/C8H7ClO2/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3/b5-4+
InChIKey
WNVMEYJIQAAXGD-SNAWJCMRSA-N
Synonyms
(2E)-3-(5-METHYL-2-FURYL)ACRYLOYL CHLORIDE MFCD12198075 (2E)-3-(5-methylfuran-2-yl)prop-2-enoyl chloride 2-Propenoyl chloride, 3-(5-methyl-2-furanyl)-, (E)- (E)-3-(5-Methyl-2-furanyl)-2-propenoyl chloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.34
TPSA
30.21

LogP / Solubility

WLOGP
2.37
MLOGP
2.08
XLogP3
2.4
Consensus LogP
2.28
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.08

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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