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CAS 118454-24-3 tert-butyl 7-aMino-1,2,4,5-tetrahydrobenzo[d]azepine-3-carboxylate molecular structure lightbox
CAS RN: 118454-24-3

tert-butyl 7-aMino-1,2,4,5-tetrahydrobenzo[d]azepine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-018222
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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: 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 118454-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

118454-24-3 / tert-butyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

TERT-BUTYL 7-AMINO-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-3(2H)-CARBOXYLATE | tert-butyl 7-amino-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate | MFCD11046302

Standard CAS: 118454-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118454-24-3
Multi CAS
No
Molecular Formula
C15H22N2O2
Molecular Weight
262.350000
Exact Mass
262.168128
SMILES
CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)N
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-6-11-4-5-13(16)10-12(11)7-9-17/h4-5,10H,6-9,16H2,1-3H3
InChIKey
PNIRXSPRJRSPJH-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 7-AMINO-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-3(2H)-CARBOXYLATE tert-butyl 7-amino-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate MFCD11046302 tert-butyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate TERT-BUTYL 7-AMINO-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.07
TPSA
55.56

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.47

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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