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CAS 56441-97-5 METHYL 4-BENZYLOXY-3-METHOXYBENZOATE molecular structure lightbox
CAS RN: 56441-97-5

METHYL 4-BENZYLOXY-3-METHOXYBENZOATE

  • Product code: SSC-164400
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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 56441-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

56441-97-5 / methyl 3-methoxy-4-phenylmethoxybenzoate

Standard CAS: 56441-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56441-97-5
Multi CAS
No
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
InChI
InChI=1S/C16H16O4/c1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKey
FPGZHXRPIFVQOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
75.11
TPSA
44.76

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.4
Consensus LogP
3.05
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly 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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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