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CAS 1142234-38-5 Methyl 3-(3-Hydroxyphenyl)butanoate molecular structure lightbox
CAS RN: 1142234-38-5

Methyl 3-(3-Hydroxyphenyl)butanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014115
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1142234-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

1142234-38-5 / methyl 3-(3-hydroxyphenyl)butanoate

Methyl 3-(3-Hydroxyphenyl)butanoate | MFCD27959542 | Benzenepropanoic acid, 3-hydroxy-beta-methyl-, methyl ester

Standard CAS: 1142234-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142234-38-5
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CC(CC(=O)OC)C1=CC(=CC=C1)O
InChI
InChI=1S/C11H14O3/c1-8(6-11(13)14-2)9-4-3-5-10(12)7-9/h3-5,7-8,12H,6H2,1-2H3
InChIKey
YAGQTKVZMWEMLI-UHFFFAOYSA-N
Synonyms
Methyl 3-(3-Hydroxyphenyl)butanoate MFCD27959542 Benzenepropanoic acid, 3-hydroxy-beta-methyl-, methyl ester methyl (3S)-3-(3-hydroxyphenyl)butanoate Methyl3-(3-Hydroxyphenyl)butanoate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.15
TPSA
46.53

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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