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CAS 497224-09-6 8-Bromo-1,2,3,4-tetrahydro-benzo[b]azocine-5-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 497224-09-6

8-Bromo-1,2,3,4-tetrahydro-benzo[b]azocine-5-carboxylic acid methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-156011
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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: ＞97%
  • 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 497224-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

497224-09-6 / methyl (5E)-8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate

Standard CAS: 497224-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
497224-09-6
Multi CAS
Yes
Molecular Formula
BC13H14O2Rn
Molecular Weight
296.160000
Exact Mass
295.020790
InChI
InChI=1S/C13H14BrNO2/c1-17-13(16)9-3-2-6-15-12-5-4-11(14)8-10(12)7-9/h4-5,7-8,15H,2-3,6H2,1H3/b9-7+
InChIKey
FLKNFDBWJDHMOC-VQHVLOKHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.86
TPSA
38.33

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
3.3
Consensus LogP
3.12
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly 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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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