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CAS 1010836-56-2 4-(Hydroxymethyl)tetrahydro-2H-pyran-4-carbonitrile molecular structure lightbox
CAS RN: 1010836-56-2

4-(Hydroxymethyl)tetrahydro-2H-pyran-4-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-001940
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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: >98%
  • Inventory rows with stock: 3
  • 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 1010836-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Beijing Inquiry
0.25g >98% 2 In Stock Shanghai Inquiry
1g >98% 2 In Stock Hong Kong Inquiry

1010836-56-2 / 4-(hydroxymethyl)oxane-4-carbonitrile

4-(hydroxymethyl)oxane-4-carbonitrile | RefChem:516195 | 988-851-2

Standard CAS: 1010836-56-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1010836-56-2
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
C1COCCC1(CO)C#N
InChI
InChI=1S/C7H11NO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-4,6H2
InChIKey
AZJLUZLWQDMMOG-UHFFFAOYSA-N
Synonyms
4-(hydroxymethyl)oxane-4-carbonitrile RefChem:516195 988-851-2 4-(hydroxymethyl)tetrahydro-2H-pyran-4-carbonitrile MFCD19103514

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.18
TPSA
53.25

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
-0.6
Consensus LogP
-0.01
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.37

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)
Acute Toxic
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] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501

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