CAS RN: 18777-32-7
sodium (dodecanoylamino)acetate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS18777-32-7
- Purity/Analytical Methods: >99.0%
18777-32-7 / sodium 2-(dodecanoylamino)acetate
Basic Information
CAS
18777-32-7
Multi CAS
No
Molecular Formula
C14H26NNaO3
Molecular Weight
279.350000
Exact Mass
279.181038
SMILES
CCCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]
InChI
InChI=1S/C14H27NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2-12H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1
InChIKey
IKGKWKGYFJBGQJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.86
TPSA
69.23
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.07
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.01
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (37.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (60.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H318 (98.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364
P264+P265, P280, P305+P354+P338, and P317
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