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CAS 1603-55-0 CYCLOHEXENE-D10 molecular structure lightbox
CAS RN: 1603-55-0

CYCLOHEXENE-D10

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1603-55-0
  • Purity/Analytical Methods: >99.0%
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1603-55-0 / 1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexene

Standard CAS: 1603-55-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1603-55-0
Multi CAS
No
Molecular Formula
C6H10
Molecular Weight
92.200000
Exact Mass
92.141018
SMILES
[2H]C1=C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2/i1D,2D,3D2,4D2,5D2,6D2
InChIKey
HGCIXCUEYOPUTN-KYJNQUCMSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
Molar refractivity
27.61
TPSA
0.0000

LogP / Solubility

WLOGP
2.12
MLOGP
1.85
XLogP3
2.9
Consensus LogP
2.29
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-1.72

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 Environmental Hazard
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P262, P264, P270, P280, P301+P317, P302+P352, P303+P361+P353, P316, P321, P330, P361+P364, P370+P378, P403+P235, P405, and P501 P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P316, P301+P317, P303+P361+P353, P330, P331, P370+P378, P391, P403+P235, P405, and P501

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