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CAS 1142223-06-0 (βR)-β-cyclopropyl-3-hydroxy-Benzenepropanoic acid methyl ester molecular structure lightbox
CAS RN: 1142223-06-0

(βR)-β-cyclopropyl-3-hydroxy-Benzenepropanoic acid methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-014104
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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
  • 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 1142223-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1142223-06-0 / methyl (3R)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

(R)-methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate | methyl (R)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate | methyl (3r)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

Standard CAS: 1142223-06-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1142223-06-0
Multi CAS
Yes
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
SMILES
COC(=O)C[C@H](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/t12-/m1/s1
InChIKey
PXBFBXFVUPMAJK-GFCCVEGCSA-N
Synonyms
(R)-methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate methyl (R)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate methyl (3r)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate Benzenepropanoic acid, beta-cyclopropyl-3-hydroxy-, methyl ester, (betaR)- SCHEMBL2504416

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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