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CAS 351336-16-8 5-(2-FORMYL-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 351336-16-8

5-(2-FORMYL-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER

  • Product code: SSC-141944
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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: 0
  • 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 351336-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 0 0 Out of Stock Shenzhen Inquiry

351336-16-8 / methyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate

Standard CAS: 351336-16-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351336-16-8
Multi CAS
Yes
Molecular Formula
C14H12O5
Molecular Weight
260.240000
Exact Mass
260.068473
InChI
InChI=1S/C14H12O5/c1-17-14(16)13-7-6-11(19-13)9-18-12-5-3-2-4-10(12)8-15/h2-8H,9H2,1H3
InChIKey
SKQZGCQIJHCKTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
66.21
TPSA
65.74

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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