CAS RN: 1416134-58-1
(S)-ethyl 2-((tert-butoxycarbonyl)amino)-6-(dimethylhydrosulfinyl)-5-hydroxyhex-5-enoate
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.20260420 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1416134-58-1
- Purity/Analytical Methods: >99.0%
1416134-58-1 / (S)-ethyl 2-((tert-butoxycarbonyl)amino)-6-(dimethylhydrosulfinyl)-5-hydroxyhex-5-enoate
Basic Information
CAS
1416134-58-1
Multi CAS
No
Molecular Formula
C15H27NO6S
Molecular Weight
349.400000
Exact Mass
349.155909
SMILES
CCOC(=O)[C@H](CC/C(=C/[S+](=O)(C)C)/[O-])NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO6S/c1-7-21-13(18)12(16-14(19)22-15(2,3)4)9-8-11(17)10-23(5,6)20/h10,12H,7-9H2,1-6H3,(H-,16,17,19,20)/t12-/m0/s1
InChIKey
GJEMACVDVHPUAX-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.01
TPSA
104.76
LogP / Solubility
WLOGP
1.18
MLOGP
1.06
XLogP3
2.4
Consensus LogP
1.55
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
(S)-ethyl 4-(chloromethyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3,8-diazadodec-3-ene-7-carboxylate
- CAS RN: 1416134-59-2
- Product Code: starshine_CAS1416134-59-2
- Purity/Analytical method: >99.0%
-
Avibactam Impurity 15
- CAS RN: 1416134-60-5
- Product Code: starshine_CAS1416134-60-5
- Purity/Analytical method: >99.0%
-
methyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
- CAS RN: 1416134-63-8
- Product Code: SSC-051986
-
SR9238
- CAS RN: 1416153-62-2
- Product Code: starshine_CAS1416153-62-2
- Purity/Analytical method: >99.0%
-
3-Boc-3-azaspiro[5.5]undecane-9-carbaldehyde
- CAS RN: 1416176-14-1
- Product Code: SSC-051995
-
![CAS 1416134-63-8 methyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416134-63-8.gif)
![CAS 1416176-14-1 3-Boc-3-azaspiro[5.5]undecane-9-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416176-14-1.gif)
