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CAS 129150-61-4 METHYL 3-(3-HYDROXY-4-METHOXYPHENYL)PROPANOATE molecular structure lightbox
CAS RN: 129150-61-4

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 250mg In stock Shanghai Inquiry
  • Product code: SSC-036314
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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 129150-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

129150-61-4 / methyl 3-(3-hydroxy-4-methoxyphenyl)propanoate

Standard CAS: 129150-61-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129150-61-4
Multi CAS
No
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
SMILES
COC1=C(C=C(C=C1)CCC(=O)OC)O
InChI
InChI=1S/C11H14O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3,5,7,12H,4,6H2,1-2H3
InChIKey
DMHDKUFZHGVDCN-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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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