CAS RN: 10051-44-2
Sodium Hexanoate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260225 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20251014 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250904 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260306 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: ICTH0112
- Purity/Analytical Methods: >99.0%(T)
10051-44-2 / sodium hexanoate
Sodium hexanoate | Sodium caproate | Hexanoic acid, sodium salt (1:1)
Basic Information
CAS
10051-44-2
Multi CAS
Yes
Molecular Formula
C6H11NaO2
Molecular Weight
138.140000
Exact Mass
138.065674
SMILES
CCCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1
InChIKey
UDWXLZLRRVQONG-UHFFFAOYSA-M
Synonyms
Sodium hexanoate
Sodium caproate
Hexanoic acid, sodium salt (1:1)
sodium capronate
HEXANOIC ACID, SODIUM SALT
Physical Properties
Physical Description
White solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
29.15
TPSA
40.13
LogP / Solubility
WLOGP
-2.68
MLOGP
-2.37
XLogP3
-2.68
Consensus LogP
-2.58
Log S (ESOL)
1.26
Class (ESOL)
Highly soluble
Log S (Ali)
1.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.19
Class (SILICOS-IT)
Highly 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)
-5.47
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
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]
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
