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CAS 1715-30-6 Alexidine Dihydrochloride molecular structure lightbox
CAS RN: 1715-30-6

Alexidine Dihydrochloride

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 100mg In stock Shanghai Inquiry
Batchno.20250512 1g In stock Shanghai Inquiry
Batchno.20250205 250mg In stock Shanghai Inquiry
Batchno.20251121 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250219 250mg In stock Shanghai Inquiry
Batchno.20250704 25mg In stock Shanghai, Hebei Inquiry
  • Product code: ICTA3389
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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1715-30-6 / 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride

Standard CAS: 1715-30-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1715-30-6
Multi CAS
No
Molecular Formula
C26H58Cl2N10
Molecular Weight
581.700000
Exact Mass
580.422297
SMILES
CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.Cl
InChI
InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H
InChIKey
BRJJFBHTDVWTCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
19
H-bond acceptors
4
H-bond donors
6
Molar refractivity
171.8
TPSA
177.58

LogP / Solubility

WLOGP
4.26
MLOGP
3.8
XLogP3
4.26
Consensus LogP
4.11
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
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 (98.9%): 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

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