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CAS 10349-38-9 4-METHOXYPHENYL ISOCYANIDE molecular structure lightbox
CAS RN: 10349-38-9

4-METHOXYPHENYL ISOCYANIDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 100mg In stock Shanghai Inquiry
Batchno.20251222 1g In stock Shanghai Inquiry
Batchno.20250930 250mg In stock Shanghai Inquiry
Batchno.20251115 5g In stock Shanghai Inquiry
  • Product code: SSC-005040
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10349-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10349-38-9 / 1-isocyano-4-methoxybenzene

1-isocyano-4-methoxybenzene | DTXSID10332309 | RefChem:231161

Standard CAS: 10349-38-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10349-38-9
Multi CAS
Yes
Molecular Formula
C8H7NO
Molecular Weight
133.150000
Exact Mass
133.052764
SMILES
COC1=CC=C(C=C1)[N+]#[C-]
InChI
InChI=1S/C8H7NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,2H3
InChIKey
MIEQKTRWKZYUPY-UHFFFAOYSA-N
Synonyms
1-isocyano-4-methoxybenzene DTXSID10332309 RefChem:231161 DTXCID50283402 859-556-5

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.26
TPSA
13.59

LogP / Solubility

WLOGP
2.25
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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