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CAS 399041-17-9 1R,2R-N,N’-bis(1-naphthalenylMethyl)-1,2-diphenyl-1,2-EthanediaMine molecular structure lightbox
CAS RN: 399041-17-9

1R,2R-N,N’-bis(1-naphthalenylMethyl)-1,2-diphenyl-1,2-EthanediaMine

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260606 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250615 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260214 250mg Out of stock Inquiry
Batchno.20250516 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: SSC-147725
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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: 5g
  • 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 399041-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

399041-17-9 / (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine

Standard CAS: 399041-17-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
399041-17-9
Multi CAS
Yes
Molecular Formula
C36H32N2
Molecular Weight
492.700000
Exact Mass
492.256549
InChI
InChI=1S/C36H32N2/c1-3-15-29(16-4-1)35(37-25-31-21-11-19-27-13-7-9-23-33(27)31)36(30-17-5-2-6-18-30)38-26-32-22-12-20-28-14-8-10-24-34(28)32/h1-24,35-38H,25-26H2/t35-,36-/m1/s1
InChIKey
XANGKRYJCUWBHS-LQFQNGICSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
32
Fraction Csp3
0.11
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
159.94
TPSA
24.06

LogP / Solubility

WLOGP
8.36
MLOGP
7.39
XLogP3
7.9
Consensus LogP
7.88
Log S (ESOL)
-8.19
Class (ESOL)
Insoluble
Log S (Ali)
-9.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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