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CAS 6106-41-8 SODIUM VALERATE molecular structure lightbox
CAS RN: 6106-41-8

SODIUM VALERATE

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 100g In stock Shenzhen Inquiry
Batchno.20251205 10g In stock Shanghai Inquiry
Batchno.20251009 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260620 1kg Out of stock Inquiry
Batchno.20260424 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250309 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250705 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260401 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS6106-41-8
  • Purity/Analytical Methods: >99.0%
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6106-41-8 / sodium pentanoate

Standard CAS: 6106-41-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6106-41-8
Multi CAS
Yes
Molecular Formula
C5H9NAO2
Molecular Weight
124.110000
Exact Mass
124.050024
InChI
InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
LHYPLJGBYPAQAK-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
24.53
TPSA
40.13

LogP / Solubility

WLOGP
-3.07
MLOGP
-2.71
XLogP3
-3.07
Consensus LogP
-2.95
Log S (ESOL)
1.52
Class (ESOL)
Highly soluble
Log S (Ali)
1.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.72
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)
-5.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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