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CAS 16416-29-8 N-DECANE-D22 molecular structure lightbox
CAS RN: 16416-29-8

N-DECANE-D22

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 100mg In stock Shanghai, Shandong Inquiry
Batchno.20251124 25mg In stock Shandong, Hebei Inquiry
Batchno.20250423 500mg In stock Shandong Inquiry
  • Product code: starshine_CAS16416-29-8
  • Purity/Analytical Methods: >99.0%
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16416-29-8 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosadeuteriodecane

Standard CAS: 16416-29-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16416-29-8
Multi CAS
No
Molecular Formula
C10H22
Molecular Weight
164.420000
Exact Mass
164.310239
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])[2H]
InChI
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2
InChIKey
DIOQZVSQGTUSAI-DNYWURFXSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
Molar refractivity
48.28
TPSA
0.0000

LogP / Solubility

WLOGP
4.15
MLOGP
3.64
XLogP3
5
Consensus LogP
4.26
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.64

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

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