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CAS 1142234-16-9 Methyl 3-(3-Hydroxyphenyl)pentanoate molecular structure lightbox
CAS RN: 1142234-16-9

Methyl 3-(3-Hydroxyphenyl)pentanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014114
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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 1142234-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

1142234-16-9 / methyl 3-(3-hydroxyphenyl)pentanoate

Methyl 3-(3-Hydroxyphenyl)pentanoate | MFCD27959541 | Benzenepropanoic acid, beta-ethyl-3-hydroxy-, methyl ester

Standard CAS: 1142234-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142234-16-9
Multi CAS
No
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
SMILES
CCC(CC(=O)OC)C1=CC(=CC=C1)O
InChI
InChI=1S/C12H16O3/c1-3-9(8-12(14)15-2)10-5-4-6-11(13)7-10/h4-7,9,13H,3,8H2,1-2H3
InChIKey
APYKJHDCYFIQJM-UHFFFAOYSA-N
Synonyms
Methyl 3-(3-Hydroxyphenyl)pentanoate MFCD27959541 Benzenepropanoic acid, beta-ethyl-3-hydroxy-, methyl ester methyl (3R)-3-(3-hydroxyphenyl)pentanoate Methyl3-(3-Hydroxyphenyl)pentanoate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.77
TPSA
46.53

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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