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CAS 174810-09-4 (1R,2R)-(+)-1,2-DIAMINOCYCLOHEXANE-N,N’-BIS(2-DIPHENYLPHOSPHINO-1-NAPHTHOYL) molecular structure lightbox
CAS RN: 174810-09-4

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

Product Availability

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11 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260518 1g In stock Inquiry
Batchno.20251031 250mg In stock Inquiry
Batchno.20250404 50mg Out of stock Inquiry
Batchno.20250610 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250613 100mg Out of stock 5-7 business days Inquiry
Batchno.20250727 100mg Out of stock Inquiry
Batchno.20250916 1g In stock Shanghai Inquiry
Batchno.20250206 1g Out of stock Inquiry
Batchno.20260602 250mg In stock Shandong Inquiry
Batchno.20260115 250mg In stock Tianjin Inquiry
Batchno.20260312 5g Out of stock Inquiry
  • Product code: SSC-076679
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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 174810-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

174810-09-4 / 2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide

Standard CAS: 174810-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174810-09-4
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-/m1/s1
InChIKey
VXFKMKXTPXVEMU-AWSIMMLFSA-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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