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CAS 1486-01-7 BIPHENYL-D10 molecular structure lightbox
CAS RN: 1486-01-7

BIPHENYL-D10

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250401 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 30 business days Inquiry
  • Product code: starshine_CAS1486-01-7
  • Purity/Analytical Methods: >99.0%
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1486-01-7 / 1,2,3,4,5-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)benzene

Standard CAS: 1486-01-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1486-01-7
Multi CAS
No
Molecular Formula
C12H10
Molecular Weight
164.270000
Exact Mass
164.141018
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKey
ZUOUZKKEUPVFJK-LHNTUAQVSA-N

Physical Properties

Physical Description
Colorless solid with a pleasant peculiar odor; [NTP] Fine, faintly yellow crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
51.88
TPSA
0.0000

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
4
Consensus LogP
3.43
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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