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CAS 877997-98-3 PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE molecular structure lightbox
CAS RN: 877997-98-3

PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE

  • Product code: SSC-198098
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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, 10g
  • 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 877997-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

877997-98-3 / phenyl 2-hydroxy-4,5-dimethoxybenzoate

Standard CAS: 877997-98-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
877997-98-3
Multi CAS
Yes
Molecular Formula
C15H14O5
Molecular Weight
274.270000
Exact Mass
274.084124
InChI
InChI=1S/C15H14O5/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)20-10-6-4-3-5-7-10/h3-9,16H,1-2H3
InChIKey
JXURAFZSOJQXKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.61
TPSA
64.99

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
3.5
Consensus LogP
2.82
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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