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CAS 111664-82-5 Dehydroevodiaminehydrochloride molecular structure lightbox
CAS RN: 111664-82-5

Dehydroevodiaminehydrochloride

Product Availability

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100mg In stock Shanghai Inquiry
Batchno.20250117 10mg In stock Shanghai Inquiry
Batchno.20260227 1g Out of stock Inquiry
Batchno.20260331 250mg Out of stock Inquiry
Batchno.20251122 25mg In stock Shanghai Inquiry
Batchno.20260110 50mg In stock Shanghai Inquiry
  • Product code: SSC-012268
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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: 0.1g
  • 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 111664-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

111664-82-5 / 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one;hydrochloride

Dehydroevodiamine chloride | RefChem:131509 | 21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one;chloride

Standard CAS: 111664-82-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111664-82-5
Multi CAS
Yes
Molecular Formula
C19H16ClN3O
Molecular Weight
337.800000
Exact Mass
337.098190
SMILES
CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3.Cl
InChI
InChI=1S/C19H15N3O.ClH/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22;/h2-9H,10-11H2,1H3;1H
InChIKey
SVOMSEHNGXLQRU-UHFFFAOYSA-N
Synonyms
Dehydroevodiamine chloride RefChem:131509 21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one;chloride Dehydroevodiamine HCl CCRIS 8946

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.16
H-bond acceptors
3
H-bond donors
1
Molar refractivity
95.4
TPSA
35.91

LogP / Solubility

WLOGP
2.06
MLOGP
1.83
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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