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CAS 628333-35-7 METHYL 3-(4-HYDROXY-2-METHOXYPHENYL)PROPANOATE molecular structure lightbox
CAS RN: 628333-35-7

METHYL 3-(4-HYDROXY-2-METHOXYPHENYL)PROPANOATE

  • Product code: SSC-172201
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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
  • 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 628333-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

628333-35-7 / methyl 3-(4-hydroxy-2-methoxyphenyl)propanoate

Standard CAS: 628333-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
628333-35-7
Multi CAS
No
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
InChI
InChI=1S/C11H14O4/c1-14-10-7-9(12)5-3-8(10)4-6-11(13)15-2/h3,5,7,12H,4,6H2,1-2H3
InChIKey
KMSVLXMSEDRKRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55
TPSA
55.76

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.6
Consensus LogP
1.48
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.93

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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