![CAS 831226-39-2 (ALPHAS,ALPHAS)-1,1′-BIS[ALPHA-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2′-BIS[BIS(2-METHYLPHENYL)PHOSPHINO]FERROCENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/831226-39-2.gif)
CAS RN: 831226-39-2
(ALPHAS,ALPHAS)-1,1′-BIS[ALPHA-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2′-BIS[BIS(2-METHYLPHENYL)PHOSPHINO]FERROCENE
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.20250201 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS831226-39-2
- Purity/Analytical Methods: >99.0%
831226-39-2 / (ALPHAS,ALPHAS)-1,1′-BIS[ALPHA-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2′-BIS[BIS(2-METHYLPHENYL)PHOSPHINO]FERROCENE
Basic Information
CAS
831226-39-2
Multi CAS
Yes
Molecular Formula
C56H58FEN2P2
Molecular Weight
876.900000
Exact Mass
876.342459
InChI
InChI=1S/2C28H29NP.Fe/c2*1-21-13-8-10-18-25(21)30(26-19-11-9-14-22(26)2)27-20-12-17-24(27)28(29(3)4)23-15-6-5-7-16-23;/h2*5-20,28H,1-4H3;/t2*28-;/m00./s1
InChIKey
VWOOMMBDIPFYRX-VRRQLQECSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
36
Fraction Csp3
0.18
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
261.6
TPSA
6.48
LogP / Solubility
WLOGP
11.54
MLOGP
10.24
XLogP3
11.54
Consensus LogP
11.11
Log S (ESOL)
-12.19
Class (ESOL)
Insoluble
Log S (Ali)
-15.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.38
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)
0.13
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
Customers Also Viewed
-
1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
- CAS RN: 831234-13-0
- Product Code: SSC-191067
-
4-(4-chlorophenyl)oxazole
- CAS RN: 832099-59-9
- Product Code: starshine_CAS832099-59-9
- Purity/Analytical method: >99.0%
-
METHYL 4-CHLORO-5-METHYL-THIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
- CAS RN: 832113-96-9
- Product Code: starshine_CAS832113-96-9
- Purity/Analytical method: >99.0%
-
1-(2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN)-2-METHYL-PROPAN-1-ONE
- CAS RN: 832113-97-0
- Product Code: starshine_CAS832113-97-0
- Purity/Analytical method: >99.0%
-
-
2-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID, PINACOL ESTER
- CAS RN: 832114-04-2
- Product Code: SSC-191100
![CAS 832113-96-9 METHYL 4-CHLORO-5-METHYL-THIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4145640.gif)
![CAS 832113-97-0 1-(2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN)-2-METHYL-PROPAN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8448257.gif)
