CAS RN: 219752-75-7
(R)-Boc-γ-Iodo-Abu-OMe
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.20250122 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS219752-75-7
- Purity/Analytical Methods: >99.0%
219752-75-7 / methyl (2R)-4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Basic Information
CAS
219752-75-7
Multi CAS
No
Molecular Formula
C10H18INO4
Molecular Weight
343.160000
Exact Mass
343.028060
SMILES
CC(C)(C)OC(=O)N[C@H](CCI)C(=O)OC
InChI
InChI=1S/C10H18INO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)/t7-/m1/s1
InChIKey
VYAWQKJZQJHWPR-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.68
TPSA
64.63
LogP / Solubility
WLOGP
1.88
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
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
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