![CAS 174575-06-5 1-IMidazolidinecarboxylic acid, 5-[[3-broMo-5-[(diethoxyphosphinyl)Methyl]phenyl]Methyl]-2-(1,1-diMethylethyl)-3-Methyl-4-oxo-, 1,1-diMethylethyl ester, (2S-trans)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174575-06-5.gif)
CAS RN: 174575-06-5
1-IMidazolidinecarboxylic acid, 5-[[3-broMo-5-[(diethoxyphosphinyl)Methyl]phenyl]Methyl]-2-(1,1-diMethylethyl)-3-Methyl-4-oxo-, 1,1-diMethylethyl ester, (2S-trans)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS174575-06-5
- Purity/Analytical Methods: >99.0%
174575-06-5 / tert-butyl (2S,5S)-5-[[3-bromo-5-(diethoxyphosphorylmethyl)phenyl]methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
Basic Information
CAS
174575-06-5
Multi CAS
No
Molecular Formula
C25H40BrN2O6P
Molecular Weight
575.500000
Exact Mass
574.180740
SMILES
CCOP(=O)(CC1=CC(=CC(=C1)C[C@H]2C(=O)N([C@@H](N2C(=O)OC(C)(C)C)C(C)(C)C)C)Br)OCC
InChI
InChI=1S/C25H40BrN2O6P/c1-10-32-35(31,33-11-2)16-18-12-17(13-19(26)14-18)15-20-21(29)27(9)22(24(3,4)5)28(20)23(30)34-25(6,7)8/h12-14,20,22H,10-11,15-16H2,1-9H3/t20-,22-/m0/s1
InChIKey
ORVKBYPBRNLDMD-UNMCSNQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
140.28
TPSA
85.38
LogP / Solubility
WLOGP
6.21
MLOGP
5.51
XLogP3
4.8
Consensus LogP
5.51
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
SDZ 220-581
- CAS RN: 174575-17-8
- Product Code: starshine_CAS174575-17-8
- Purity/Analytical method: >99.0%
-
-
Benzoyl fluoride, 4-(1,1-dimethylethyl)- (9CI)
- CAS RN: 174579-99-8
- Product Code: starshine_CAS174579-99-8
- Purity/Analytical method: >99.0%
-
-
-
