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CAS 1260811-27-5 Bis((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)amine molecular structure lightbox
CAS RN: 1260811-27-5

Bis((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)amine

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251130 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250123 1g Out of stock Inquiry
Batchno.20260319 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251230 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-032149
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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 1260811-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

1260811-27-5 / 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)methanamine

Standard CAS: 1260811-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260811-27-5
Multi CAS
No
Molecular Formula
C18H19NO4
Molecular Weight
313.300000
Exact Mass
313.131408
SMILES
C1COC2=C(O1)C=CC(=C2)CNCC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C18H19NO4/c1-3-15-17(22-7-5-20-15)9-13(1)11-19-12-14-2-4-16-18(10-14)23-8-6-21-16/h1-4,9-10,19H,5-8,11-12H2
InChIKey
WJYOGHXICMZTOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.41
TPSA
48.95

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
2.2
Consensus LogP
2.32
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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