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CAS 1150113-66-8 (1R,2R)-N,N-Bis{2-[bis(3,5-dimethylphenyl)phosphino]benzyl}cyclohexane-1,2-diamine, min. 97% molecular structure lightbox
CAS RN: 1150113-66-8

(1R,2R)-N,N-Bis{2-[bis(3,5-dimethylphenyl)phosphino]benzyl}cyclohexane-1,2-diamine, min. 97%

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 100mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251117 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20251203 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250317 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250909 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014705
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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 1150113-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1150113-66-8 / trans-(1R,2R)-2-N,2-N-bis[[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]cyclohexane-1,2-diamine

(1R,2R)-N1,N1-Bis(2-(bis(3,5-dimethylphenyl)phosphino)benzyl)cyclohexane-1,2-diamine | (1R,2R)-N,N-Bis{2-[bis(3,5-dimethylphenyl)phosphino]benzyl}cyclohexane-1,2-diamine | MFCD17014020

Standard CAS: 1150113-66-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150113-66-8
Multi CAS
Yes
Molecular Formula
C52H60N2P2
Molecular Weight
775.000000
Exact Mass
774.423174
SMILES
CC1=CC(=CC(=C1)P(C2=CC=CC=C2CN(CC3=CC=CC=C3P(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)[C@@H]6CCCC[C@H]6N)C7=CC(=CC(=C7)C)C)C
InChI
InChI=1S/C52H60N2P2/c1-35-21-36(2)26-45(25-35)55(46-27-37(3)22-38(4)28-46)51-19-13-9-15-43(51)33-54(50-18-12-11-17-49(50)53)34-44-16-10-14-20-52(44)56(47-29-39(5)23-40(6)30-47)48-31-41(7)24-42(8)32-48/h9-10,13-16,19-32,49-50H,11-12,17-18,33-34,53H2,1-8H3/t49-,50-/m1/s1
InChIKey
JGZZEPZYYHSWHV-CDKYPKJRSA-N
Synonyms
(1R,2R)-N1,N1-Bis(2-(bis(3,5-dimethylphenyl)phosphino)benzyl)cyclohexane-1,2-diamine (1R,2R)-N,N-Bis{2-[bis(3,5-dimethylphenyl)phosphino]benzyl}cyclohexane-1,2-diamine MFCD17014020 (1R,2R)-N1,N2-Bis(2-(bis(3,5-dimethylphenyl)phosphino)benzyl)cyclohexane-1,2-diamine (1R,2R)-2-N,2-N-bis[[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]cyclohexane-1,2-diamine

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
36
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
247.67
TPSA
29.26

LogP / Solubility

WLOGP
9.94
MLOGP
8.82
XLogP3
11.9
Consensus LogP
10.22
Log S (ESOL)
-10.66
Class (ESOL)
Insoluble
Log S (Ali)
-13.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.27
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)
-0.39

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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