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CAS 90812-66-1 4-(CarboxyMethoxy)-benzoic acid Methyl ester molecular structure lightbox
CAS RN: 90812-66-1

4-(CarboxyMethoxy)-benzoic acid Methyl ester

  • Product code: SSC-203456
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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: 0.25g
  • 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 90812-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

90812-66-1 / 2-(4-methoxycarbonylphenoxy)acetic acid

Standard CAS: 90812-66-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90812-66-1
Multi CAS
No
Molecular Formula
C10H10O5
Molecular Weight
210.180000
Exact Mass
210.052823
InChI
InChI=1S/C10H10O5/c1-14-10(13)7-2-4-8(5-3-7)15-6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChIKey
WCFPZVJGGGBAOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.91
TPSA
72.83

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
1.9
Consensus LogP
1.22
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

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