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CAS 1003-14-1 1,2-Epoxypentane molecular structure lightbox
CAS RN: 1003-14-1

1,2-Epoxypentane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 1ml In stock Shanghai Inquiry
  • Product code: ICTE0822
  • Purity/Analytical Methods: >98.0%(GC)
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1003-14-1 / 2-propyloxirane

1,2-Epoxypentane | Oxirane, 2-propyl- | Pentylene oxide

Standard CAS: 1003-14-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1003-14-1
Multi CAS
Yes
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
SMILES
CCCC1CO1
InChI
InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3
InChIKey
SYURNNNQIFDVCA-UHFFFAOYSA-N
Synonyms
1,2-Epoxypentane Oxirane, 2-propyl- Pentylene oxide EINECS 213-701-3 NSC 46349

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
24.65
TPSA
12.53

LogP / Solubility

WLOGP
1.19
MLOGP
1.03
XLogP3
1.4
Consensus LogP
1.21
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-2.4

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
2

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard
Signal
Danger Warning
GHS Hazard Statements
H225 (99.4%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302+H312+H332 (24.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (98.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, 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, P318, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 P203, P261, P264, P270, P271, P280, P301+P317, P304+P340, P317, P318, P330, P405, and P501

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