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CAS 103261-67-2 methyl 4-cyano-2-methylbenzoate molecular structure lightbox
CAS RN: 103261-67-2

methyl 4-cyano-2-methylbenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251030 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-004697
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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: 5g, 1g, 10g, 100g, 25g
  • 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 103261-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Hong Kong Inquiry
100g ≥95% 1 In Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

103261-67-2 / methyl 4-cyano-2-methylbenzoate

METHYL 4-CYANO-2-METHYLBENZOATE | DTXSID90596104 | RefChem:355689

Standard CAS: 103261-67-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103261-67-2
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
CC1=C(C=CC(=C1)C#N)C(=O)OC
InChI
InChI=1S/C10H9NO2/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-5H,1-2H3
InChIKey
PDQNYPAJSAVURS-UHFFFAOYSA-N
Synonyms
METHYL 4-CYANO-2-METHYLBENZOATE DTXSID90596104 RefChem:355689 DTXCID90546866 846-105-2

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.23
TPSA
50.09

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2.5
Consensus LogP
1.87
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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