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CAS 164472-78-0 (S)-TETRAHYDROFURAN-2-CARBONITRILE molecular structure lightbox
CAS RN: 164472-78-0

(S)-TETRAHYDROFURAN-2-CARBONITRILE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260621 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS164472-78-0
  • Purity/Analytical Methods: >99.0%
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164472-78-0 / (2R)-oxolane-2-carbonitrile

Standard CAS: 164472-78-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
164472-78-0
Multi CAS
No
Molecular Formula
C5H7NO
Molecular Weight
97.120000
Exact Mass
97.052764
SMILES
C1C[C@@H](OC1)C#N
InChI
InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h5H,1-3H2/t5-/m1/s1
InChIKey
RZZIKHSWRWWPAN-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
24.59
TPSA
33.02

LogP / Solubility

WLOGP
0.69
MLOGP
0.59
XLogP3
0.4
Consensus LogP
0.56
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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