![CAS 1150113-65-7 (1R,2R)-N,N-Bis[2-(di-p-tolylphosphino)benzyl]cyclohexane-1,2-diamine, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150113-65-7.gif)
CAS RN: 1150113-65-7
(1R,2R)-N,N-Bis[2-(di-p-tolylphosphino)benzyl]cyclohexane-1,2-diamine, min. 97%
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260116 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250924 | 1g | In stock | Chengdu | Inquiry | |
| Batchno.20250221 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260619 | 5g | Out of stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250603 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1150113-65-7
- Purity/Analytical Methods: >99.0%
1150113-65-7 / trans-(1R,2R)-2-N,2-N-bis[[2-bis(4-methylphenyl)phosphanylphenyl]methyl]cyclohexane-1,2-diamine
(1R,2R)-N1,N1-Bis(2-(di-p-tolylphosphino)benzyl)cyclohexane-1,2-diamine | MFCD17014023 | (1R,2R)-N,N-BIS[2-(DI-P-TOLYLPHOSPHINO)BENZYL]CYCLOHEXANE-1,2-DIAMINE
Basic Information
CAS
1150113-65-7
Multi CAS
Yes
Molecular Formula
C48H52N2P2
Molecular Weight
718.900000
Exact Mass
718.360574
SMILES
CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC=C3CN(CC4=CC=CC=C4P(C5=CC=C(C=C5)C)C6=CC=C(C=C6)C)[C@@H]7CCCC[C@H]7N
InChI
InChI=1S/C48H52N2P2/c1-35-17-25-41(26-18-35)51(42-27-19-36(2)20-28-42)47-15-9-5-11-39(47)33-50(46-14-8-7-13-45(46)49)34-40-12-6-10-16-48(40)52(43-29-21-37(3)22-30-43)44-31-23-38(4)24-32-44/h5-6,9-12,15-32,45-46H,7-8,13-14,33-34,49H2,1-4H3/t45-,46-/m1/s1
InChIKey
NREBRZNMKPGZHZ-AWSIMMLFSA-N
Synonyms
(1R,2R)-N1,N1-Bis(2-(di-p-tolylphosphino)benzyl)cyclohexane-1,2-diamine
MFCD17014023
(1R,2R)-N,N-BIS[2-(DI-P-TOLYLPHOSPHINO)BENZYL]CYCLOHEXANE-1,2-DIAMINE
(1R,2R)-2-N,2-N-bis[[2-bis(4-methylphenyl)phosphanylphenyl]methyl]cyclohexane-1,2-diamine
(1R,2R)-N1,N1-Bis(2-(di-p-tolylphosphino)-benzyl)cyclohexane-1,2-diamine
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
36
Fraction Csp3
0.25
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
228.72
TPSA
29.26
LogP / Solubility
WLOGP
8.71
MLOGP
7.73
XLogP3
10.5
Consensus LogP
8.98
Log S (ESOL)
-9.57
Class (ESOL)
Insoluble
Log S (Ali)
-11.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.88
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)
-0.92
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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