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CAS 214697-98-0 1(2H)-Naphthalenone, 7-amino-8-bromo-3,4-dihydro- molecular structure lightbox
CAS RN: 214697-98-0

1(2H)-Naphthalenone, 7-amino-8-bromo-3,4-dihydro-

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260205 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250514 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260402 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260428 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250723 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-102921
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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 214697-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

214697-98-0 / 7-amino-8-bromo-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 214697-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214697-98-0
Multi CAS
No
Molecular Formula
C10H10BrNO
Molecular Weight
240.100000
Exact Mass
238.994580
SMILES
C1CC2=C(C(=O)C1)C(=C(C=C2)N)Br
InChI
InChI=1S/C10H10BrNO/c11-10-7(12)5-4-6-2-1-3-8(13)9(6)10/h4-5H,1-3,12H2
InChIKey
FWWCXEVWMSEPJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.82
TPSA
43.09

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2
Consensus LogP
2.27
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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