![CAS 6004-24-6 CPC Monohydrate (=Cetylpyridinium Chloride Monohydrate) [Ion association reagent for extraction photometric analysis and sensitizer in photometric determination of metals] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5161-jpgcontextbwfzdgvyfhjvb3r8mzy1mzz8aw1hz2uvanblz3xonwuvadfmlzg5mjg1mtqwmtuynjivqtuxnjeuanbnfgywytcyzgu0ndfhzjawngi2ngixmzi4mmyxzdzmnzq3owzjzwq5ywu0ogu0mjk1ntq4zgq3nmrjnjnkyzzkzdq.jpeg)
CAS RN: 6004-24-6
CPC Monohydrate (=Cetylpyridinium Chloride Monohydrate) [Ion association reagent for extraction photometric analysis and sensitizer in photometric determination of metals]
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250928 | 1ml | In stock | Inquiry |
- Product code: SSC-168623
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
6004-24-6 / 1-hexadecylpyridin-1-ium;chloride;hydrate
Basic Information
CAS
6004-24-6
Multi CAS
Yes
Molecular Formula
C21H40CLNO
Molecular Weight
358.000000
Exact Mass
357.279843
InChI
InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
InChIKey
NFCRBQADEGXVDL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
1
Molar refractivity
100.56
TPSA
35.38
LogP / Solubility
WLOGP
2.63
MLOGP
2.34
XLogP3
2.63
Consensus LogP
2.53
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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