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CAS 214358-33-5 1400 W DIHYDROCHLORIDE, 96 molecular structure lightbox
CAS RN: 214358-33-5

1400 W DIHYDROCHLORIDE, 96

Product Availability

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6 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250127 100mg Out of stock Inquiry
Batchno.20250501 1g Out of stock Inquiry
Batchno.20260513 250mg Out of stock Inquiry
Batchno.20260305 25mg Out of stock Inquiry
Batchno.20260112 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251008 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-102765
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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: 0.25g
  • 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 214358-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

214358-33-5 / N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride

Standard CAS: 214358-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214358-33-5
Multi CAS
No
Molecular Formula
C10H17Cl2N3
Molecular Weight
250.170000
Exact Mass
249.079953
SMILES
CC(=NCC1=CC=CC(=C1)CN)N.Cl.Cl
InChI
InChI=1S/C10H15N3.2ClH/c1-8(12)13-7-10-4-2-3-9(5-10)6-11;;/h2-5H,6-7,11H2,1H3,(H2,12,13);2*1H
InChIKey
WDJHSQZCZGPGAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.83
TPSA
64.4

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.87
Consensus LogP
1.8
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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