![CAS 220623-07-4 (1S,2S,5R)-3-Boc-2-[(tert-butyldimethylsilyloxy)methyl]-4-oxo-3-azabicyclo[3.1.0]hexane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220623-07-4.gif)
CAS RN: 220623-07-4
(1S,2S,5R)-3-Boc-2-[(tert-butyldimethylsilyloxy)methyl]-4-oxo-3-azabicyclo[3.1.0]hexane
- Product code: SSC-106144
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
220623-07-4 / tert-butyl (1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylate
Basic Information
CAS
220623-07-4
Multi CAS
No
Molecular Formula
C17H31NO4Si
Molecular Weight
341.500000
Exact Mass
341.202235
SMILES
CC(C)(C)OC(=O)N1[C@@H]([C@H]2C[C@H]2C1=O)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C17H31NO4Si/c1-16(2,3)22-15(20)18-13(11-9-12(11)14(18)19)10-21-23(7,8)17(4,5)6/h11-13H,9-10H2,1-8H3/t11-,12+,13+/m0/s1
InChIKey
YSYBLOHEQJEDNI-YNEHKIRRSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
91.61
TPSA
55.84
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
3.79
Consensus LogP
3.64
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
-
2-ACETAMIDO-5-BROMOTOLUENE
- CAS RN: 22062-55-1
- Product Code: starshine_CAS22062-55-1
- Purity/Analytical method: >99.0%
-
Quinoline, 8-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
- CAS RN: 220628-97-7
- Product Code: SSC-106146
-
Quinoline, 8-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
- CAS RN: 220628-98-8
- Product Code: SSC-106147
-
(S)-4-PHENYL-2-(QUINOLIN-8-YL)-4,5-DIHYDROOXAZOLE
- CAS RN: 220628-99-9
- Product Code: SSC-106148
-
(2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)amine(SALTDATA: HCl)
- CAS RN: 220634-41-3
- Product Code: SSC-106153
![CAS 220628-97-7 Quinoline, 8-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220628-97-7.gif)
![CAS 220628-98-8 Quinoline, 8-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220628-98-8.gif)
