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CAS 1142224-26-7 Methyl 3-(3-Hydroxyphenyl)-4-Methylpentanoate molecular structure lightbox
CAS RN: 1142224-26-7

Methyl 3-(3-Hydroxyphenyl)-4-Methylpentanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014106
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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, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 1142224-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

1142224-26-7 / methyl 3-(3-hydroxyphenyl)-4-methylpentanoate

Methyl 3-(3-Hydroxyphenyl)-4-methylpentanoate | MFCD27959540 | Benzenepropanoic acid, 3-hydroxy-beta-(1-methylethyl)-, methyl ester

Standard CAS: 1142224-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142224-26-7
Multi CAS
No
Molecular Formula
C13H18O3
Molecular Weight
222.280000
Exact Mass
222.125594
SMILES
CC(C)C(CC(=O)OC)C1=CC(=CC=C1)O
InChI
InChI=1S/C13H18O3/c1-9(2)12(8-13(15)16-3)10-5-4-6-11(14)7-10/h4-7,9,12,14H,8H2,1-3H3
InChIKey
LPNDMJQBOFLBRG-UHFFFAOYSA-N
Synonyms
Methyl 3-(3-Hydroxyphenyl)-4-methylpentanoate MFCD27959540 Benzenepropanoic acid, 3-hydroxy-beta-(1-methylethyl)-, methyl ester methyl (3R)-3-(3-hydroxyphenyl)-4-methylpentanoate Methyl3-(3-Hydroxyphenyl)-4-methylpentanoate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.32
TPSA
46.53

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.8
Consensus LogP
2.62
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.16

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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