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CAS 1956380-62-3 2,3,4,5-TETRAHYDROBENZO[B]OXEPIN-4-AMINE OXALATE molecular structure lightbox
CAS RN: 1956380-62-3

2,3,4,5-TETRAHYDROBENZO[B]OXEPIN-4-AMINE OXALATE

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 100mg Out of stock 5-7 business days Inquiry
Batchno.20250819 250mg Out of stock 3-5 business days Inquiry
  • Product code: SSC-092504
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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 1956380-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1956380-62-3 / oxalic acid;2,3,4,5-tetrahydro-1-benzoxepin-4-amine

Standard CAS: 1956380-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956380-62-3
Multi CAS
No
Molecular Formula
C12H15NO5
Molecular Weight
253.250000
Exact Mass
253.095023
SMILES
C1COC2=CC=CC=C2CC1N.C(=O)(C(=O)O)O
InChI
InChI=1S/C10H13NO.C2H2O4/c11-9-5-6-12-10-4-2-1-3-8(10)7-9;3-1(4)2(5)6/h1-4,9H,5-7,11H2;(H,3,4)(H,5,6)
InChIKey
JWQDRUNEVFPSMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
63.51
TPSA
109.85

LogP / Solubility

WLOGP
0.49
MLOGP
0.44
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

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
2

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