![CAS 849924-78-3 (AS,AS)-1,1#-BIS[-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2#-BIS(DICYCLOHEXYLPHOSP molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849924-78-3.gif)
CAS RN: 849924-78-3
(AS,AS)-1,1#-BIS[-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2#-BIS(DICYCLOHEXYLPHOSP
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250127 | 100mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20260604 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251116 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250411 | 50mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250721 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20260411 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS849924-78-3
- Purity/Analytical Methods: >99.0%
849924-78-3 / (AS,AS)-1,1#-BIS[-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2#-BIS(DICYCLOHEXYLPHOSP
Basic Information
CAS
849924-78-3
Multi CAS
Yes
Molecular Formula
C52H74FEN2P2
Molecular Weight
844.900000
Exact Mass
844.467660
InChI
InChI=1S/2C26H37NP.Fe/c2*1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h2*3,6-7,12-14,19-20,22-23,26H,4-5,8-11,15-18H2,1-2H3;/t2*26-;/m00./s1
InChIKey
OMHGSRQJSWIMDO-FKMBXMNYSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
12
Fraction Csp3
0.58
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
245.84
TPSA
6.48
LogP / Solubility
WLOGP
14.34
MLOGP
12.69
XLogP3
14.34
Consensus LogP
13.79
Log S (ESOL)
-13.47
Class (ESOL)
Insoluble
Log S (Ali)
-16.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.49
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)
2.3
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
7.5
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