CAS RN: 135630-90-9
BOC-DAP(BROMOACETYL)-OH
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.20260411 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS135630-90-9
- Purity/Analytical Methods: >99.0%
135630-90-9 / (2S)-3-[(2-bromoacetyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
135630-90-9
Multi CAS
No
Molecular Formula
C10H17BrN2O5
Molecular Weight
325.160000
Exact Mass
324.032080
SMILES
CC(C)(C)OC(=O)N[C@@H](CNC(=O)CBr)C(=O)O
InChI
InChI=1S/C10H17BrN2O5/c1-10(2,3)18-9(17)13-6(8(15)16)5-12-7(14)4-11/h6H,4-5H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t6-/m0/s1
InChIKey
CBCUCJIZACLGGN-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
67.6
TPSA
104.73
LogP / Solubility
WLOGP
0.48
MLOGP
0.43
XLogP3
0.7
Consensus LogP
0.54
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
6-BROMO-3,4-DIHYDRO-4,4-DIMETHYLQUINOLIN-2(1H)-ONE
- CAS RN: 135631-90-2
- Product Code: SSC-044150
-
6-bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline hydrochloride
- CAS RN: 135631-91-3
- Product Code: SSC-044151
-
(1R,5S,6S)-ETHYL 3-OXABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE
- CAS RN: 135637-81-9
- Product Code: SSC-044166
-
(1R,5S,6r)-3-Oxabicyclo[3.1.0]hexan-6-ylmethanol
- CAS RN: 135637-92-2
- Product Code: SSC-044167
-
3-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
- CAS RN: 135641-91-7
- Product Code: SSC-044174
![CAS 135637-81-9 (1R,5S,6S)-ETHYL 3-OXABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/135637-81-9.gif)
![CAS 135637-92-2 (1R,5S,6r)-3-Oxabicyclo[3.1.0]hexan-6-ylmethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/135637-92-2.gif)
