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CAS 97804-50-7 (1R,4S,4aR,9aS)-rel-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoanthracene-9,10-dione molecular structure lightbox
CAS RN: 97804-50-7

(1R,4S,4aR,9aS)-rel-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoanthracene-9,10-dione

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 100g In stock Shenzhen Inquiry
Batchno.20251012 10g Out of stock Inquiry
Batchno.20260427 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260106 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260618 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250308 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250920 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-212379
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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: 10g
  • 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 97804-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

97804-50-7 / (1S,2R,11S,12R)-2-methyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione

Standard CAS: 97804-50-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97804-50-7
Multi CAS
Yes
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
InChI
InChI=1S/C16H14O2/c1-16-10-7-6-9(8-10)13(16)14(17)11-4-2-3-5-12(11)15(16)18/h2-7,9-10,13H,8H2,1H3/t9-,10+,13+,16+/m0/s1
InChIKey
NELNWZJOZOSDFH-YBFQDZRDSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
Molar refractivity
67.44
TPSA
34.14

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.6
Consensus LogP
2.68
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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