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CAS 64154-17-2 METHYL 5-(2-METHOXYCARBONYLVINYL)FURAN-2-CARBOXYLATE molecular structure lightbox
CAS RN: 64154-17-2

METHYL 5-(2-METHOXYCARBONYLVINYL)FURAN-2-CARBOXYLATE

  • Product code: SSC-173914
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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: 1g
  • 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 64154-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

64154-17-2 / methyl 5-[(E)-3-methoxy-3-oxoprop-1-enyl]furan-2-carboxylate

Standard CAS: 64154-17-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64154-17-2
Multi CAS
Yes
Molecular Formula
C10H10O5
Molecular Weight
210.180000
Exact Mass
210.052823
InChI
InChI=1S/C10H10O5/c1-13-9(11)6-4-7-3-5-8(15-7)10(12)14-2/h3-6H,1-2H3/b6-4+
InChIKey
YHEHEVFHOZQFHC-GQCTYLIASA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
51.1
TPSA
65.74

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.7
Consensus LogP
1.35
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

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