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CAS 110510-78-6 N-DECYL-D21 ALCOHOL molecular structure lightbox
CAS RN: 110510-78-6

N-DECYL-D21 ALCOHOL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS110510-78-6
  • Purity/Analytical Methods: >99.0%
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110510-78-6 / 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecan-1-ol

1-Decanol-d21 | N-DECYL-D21 ALCOHOL | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecan-1-ol

Standard CAS: 110510-78-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110510-78-6
Multi CAS
Yes
Molecular Formula
C10H22O
Molecular Weight
179.410000
Exact Mass
179.298877
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2
InChIKey
MWKFXSUHUHTGQN-SLBGAMDCSA-N
Synonyms
1-Decanol-d21 N-DECYL-D21 ALCOHOL 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecan-1-ol decanol-d21 1-(2H21)Decanol

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.7
TPSA
20.23

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
4.6
Consensus LogP
3.49
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-1.47

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501

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