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CAS 1142224-62-1 Methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate molecular structure lightbox
CAS RN: 1142224-62-1

Methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014108
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1142224-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry

1142224-62-1 / methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

Methyl 3-Cyclopropyl-3-(3-hydroxyphenyl)propanoate | MFCD27935376 | Benzenepropanoic acid, beta-cyclopropyl-3-hydroxy-, methyl ester

Standard CAS: 1142224-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142224-62-1
Multi CAS
No
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
SMILES
COC(=O)CC(C1CC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C13H16O3/c1-16-13(15)8-12(9-5-6-9)10-3-2-4-11(14)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3
InChIKey
PXBFBXFVUPMAJK-UHFFFAOYSA-N
Synonyms
Methyl 3-Cyclopropyl-3-(3-hydroxyphenyl)propanoate MFCD27935376 Benzenepropanoic acid, beta-cyclopropyl-3-hydroxy-, methyl ester Methyl3-Cyclopropyl-3-(3-hydroxyphenyl)propanoate SCHEMBL2501419

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
60.2
TPSA
46.53

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.32

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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