![CAS 174758-63-5 (1R,2R)-N,N′-Bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174758-63-5.gif)
CAS RN: 174758-63-5
(1R,2R)-N,N′-Bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260310 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-076658
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
174758-63-5 / trans-(1R,2R)-1-N,2-N-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine
Basic Information
CAS
174758-63-5
Multi CAS
No
Molecular Formula
C44H44N2P2
Molecular Weight
662.800000
Exact Mass
662.297973
SMILES
C1CC[C@H]([C@@H](C1)NCC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C44H44N2P2/c1-5-21-37(22-6-1)47(38-23-7-2-8-24-38)43-31-17-13-19-35(43)33-45-41-29-15-16-30-42(41)46-34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40/h1-14,17-28,31-32,41-42,45-46H,15-16,29-30,33-34H2/t41-,42-/m1/s1
InChIKey
OBHPYVNBXWUKNY-NCRNUEESSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
36
Fraction Csp3
0.18
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
210.02
TPSA
24.06
LogP / Solubility
WLOGP
7.39
MLOGP
6.56
XLogP3
9.1
Consensus LogP
7.68
Log S (ESOL)
-8.37
Class (ESOL)
Insoluble
Log S (Ali)
-10.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.54
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)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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