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CAS 23604-21-9 octadecylguanidine monohydrochloride molecular structure lightbox
CAS RN: 23604-21-9

octadecylguanidine monohydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 1g In stock Shanghai Inquiry
  • Product code: SSC-114867
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23604-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

23604-21-9 / 2-octadecylguanidine;hydrochloride

Standard CAS: 23604-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23604-21-9
Multi CAS
No
Molecular Formula
C19H42ClN3
Molecular Weight
348.000000
Exact Mass
347.306726
SMILES
CCCCCCCCCCCCCCCCCCN=C(N)N.Cl
InChI
InChI=1S/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H
InChIKey
WPUFMGPAQNCUGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
1
H-bond donors
2
Molar refractivity
107.47
TPSA
64.4

LogP / Solubility

WLOGP
5.94
MLOGP
5.25
XLogP3
5.94
Consensus LogP
5.71
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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