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CAS 1823551-73-0 N-Boc-8-hydroxy-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carbaldehyde molecular structure lightbox
CAS RN: 1823551-73-0

N-Boc-8-hydroxy-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-083769
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1823551-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry

1823551-73-0 / tert-butyl 7-formyl-8-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate

Standard CAS: 1823551-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823551-73-0
Multi CAS
No
Molecular Formula
C15H19NO5
Molecular Weight
293.310000
Exact Mass
293.126323
SMILES
CC(C)(C)OC(=O)N1CCOC2=CC(=C(C=C2C1)C=O)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-4-5-20-13-7-12(18)11(9-17)6-10(13)8-16/h6-7,9,18H,4-5,8H2,1-3H3
InChIKey
PANSNRRRRDWSBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.63
TPSA
76.07

LogP / Solubility

WLOGP
2.33
MLOGP
2.07
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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