CAS RN: 15448-47-2
(R)-(+)-Propylene Oxide
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: ICTP1396
- Purity/Analytical Methods: >98.0%(GC)
15448-47-2 / (2R)-2-methyloxirane
Basic Information
CAS
15448-47-2
Multi CAS
No
Molecular Formula
C3H6O
Molecular Weight
58.080000
Exact Mass
58.041865
SMILES
C[C@@H]1CO1
InChI
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1
InChIKey
GOOHAUXETOMSMM-GSVOUGTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
15.41
TPSA
12.53
LogP / Solubility
WLOGP
0.41
MLOGP
0.34
Consensus LogP
0.25
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-2.79
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)
Flammable
Acute Toxic
Irritant
Health Hazard
Corrosive
Signal
Danger
GHS Hazard Statements
H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]
H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (20.4%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (18.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (18.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
P203, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501
