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CAS 22833-69-8 METHYL 2-HYDROXY-6-METHOXYBENZOATE molecular structure lightbox
CAS RN: 22833-69-8

METHYL 2-HYDROXY-6-METHOXYBENZOATE

  • Product code: SSC-111172
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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: ＞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 22833-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

22833-69-8 / methyl 2-hydroxy-6-methoxybenzoate

Standard CAS: 22833-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22833-69-8
Multi CAS
No
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
SMILES
COC1=CC=CC(=C1C(=O)OC)O
InChI
InChI=1S/C9H10O4/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5,10H,1-2H3
InChIKey
YRJIMTHQIPOSJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46
TPSA
55.76

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
1.9
Consensus LogP
1.38
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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