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CAS 205495-66-5 (1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N’-BIS(2-DIPHENYLPHOSPHINO-1-NAPHTHOYL) molecular structure lightbox
CAS RN: 205495-66-5

(1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N’-BIS(2-DIPHENYLPHOSPHINO-1-NAPHTHOYL)

Product Availability

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250709 100mg / 250mg / 1g Confirm by inquiry Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260310 100mg Out of stock Inquiry
Batchno.20250518 1g Out of stock Inquiry
Batchno.20260421 250mg Out of stock Inquiry
Batchno.20251206 5g Out of stock Inquiry
  • Product code: SSC-096624
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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 205495-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

205495-66-5 / 2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide

Standard CAS: 205495-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205495-66-5
Multi CAS
No
Molecular Formula
C52H44N2O2P2
Molecular Weight
790.900000
Exact Mass
790.287803
SMILES
C1CC[C@@H]([C@H](C1)NC(=O)C2=C(C=CC3=CC=CC=C32)P(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C6=C(C=CC7=CC=CC=C76)P(C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C52H44N2O2P2/c55-51(49-43-29-15-13-19-37(43)33-35-47(49)57(39-21-5-1-6-22-39)40-23-7-2-8-24-40)53-45-31-17-18-32-46(45)54-52(56)50-44-30-16-14-20-38(44)34-36-48(50)58(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-16,19-30,33-36,45-46H,17-18,31-32H2,(H,53,55)(H,54,56)/t45-,46-/m0/s1
InChIKey
VXFKMKXTPXVEMU-ZYBCLOSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
44
Fraction Csp3
0.12
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
246.28
TPSA
58.2

LogP / Solubility

WLOGP
8.98
MLOGP
7.97
XLogP3
11.4
Consensus LogP
9.45
Log S (ESOL)
-10.3
Class (ESOL)
Insoluble
Log S (Ali)
-12.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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