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CAS 181139-49-1 (11R,12R)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine molecular structure lightbox
CAS RN: 181139-49-1

(11R,12R)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine

Product Availability

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10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 100mg In stock Inquiry
Batchno.20251129 1g In stock Inquiry
Batchno.20250114 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250617 250mg In stock Shanghai, Shandong Inquiry
Batchno.20260412 5g In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250710 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250918 1g In stock Shanghai Inquiry
Batchno.20260612 250mg In stock Shanghai Inquiry
Batchno.20250507 5g In stock Shanghai Inquiry
  • Product code: SSC-082388
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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 181139-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

181139-49-1 / (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine

Standard CAS: 181139-49-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
181139-49-1
Multi CAS
No
Molecular Formula
C16H16N2
Molecular Weight
236.310000
Exact Mass
236.131349
SMILES
C1=CC=C2C3[C@H]([C@@H](C(C2=C1)C4=CC=CC=C34)N)N
InChI
InChI=1S/C16H16N2/c17-15-13-9-5-1-2-6-10(9)14(16(15)18)12-8-4-3-7-11(12)13/h1-8,13-16H,17-18H2/t13?,14?,15-,16-/m1/s1
InChIKey
NWDYSRZJOLDMRE-QDIHITRGSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.52
TPSA
52.04

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (97.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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