CAS RN: 102611-15-4
DECANOIC-10,10,10-D3 ACID
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260701 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS102611-15-4
- Purity/Analytical Methods: >99.0%
102611-15-4 / 10,10,10-trideuteriodecanoic acid
(10,10,10-~2~H_3_)Decanoic acid | DTXSID40672927 | RefChem:204692
Basic Information
CAS
102611-15-4
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
175.280000
Exact Mass
175.165160
SMILES
[2H]C([2H])([2H])CCCCCCCCC(=O)O
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i1D3
InChIKey
GHVNFZFCNZKVNT-FIBGUPNXSA-N
Synonyms
(10,10,10-~2~H_3_)Decanoic acid
DTXSID40672927
RefChem:204692
DTXCID40623676
Decanoic-10,10,10-d3 acid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.25
TPSA
37.3
LogP / Solubility
WLOGP
3.21
MLOGP
2.82
XLogP3
4.1
Consensus LogP
3.38
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.49
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
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 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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