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CAS 1356600-20-8 Methyl 3-Cyano-3-(4-hydroxyphenyl)propanoate molecular structure lightbox
CAS RN: 1356600-20-8

Methyl 3-Cyano-3-(4-hydroxyphenyl)propanoate

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-044219
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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: 8
  • 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 1356600-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Beijing Inquiry

1356600-20-8 / methyl 3-cyano-3-(4-hydroxyphenyl)propanoate

Standard CAS: 1356600-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1356600-20-8
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
COC(=O)CC(C#N)C1=CC=C(C=C1)O
InChI
InChI=1S/C11H11NO3/c1-15-11(14)6-9(7-12)8-2-4-10(13)5-3-8/h2-5,9,13H,6H2,1H3
InChIKey
SBRXCXMQSXUVHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.09
TPSA
70.32

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.86

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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