CAS RN: 197893-07-5
Boc-D-Met-NH2
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.20251201 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS197893-07-5
- Purity/Analytical Methods: >99.0%
197893-07-5 / tert-butyl N-[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
Basic Information
CAS
197893-07-5
Multi CAS
No
Molecular Formula
C10H20N2O3S
Molecular Weight
248.340000
Exact Mass
248.119464
SMILES
CC(C)(C)OC(=O)N[C@H](CCSC)C(=O)N
InChI
InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(14)12-7(8(11)13)5-6-16-4/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,14)/t7-/m1/s1
InChIKey
PEIBGUXFGFTTOY-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.35
TPSA
81.42
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
0.8
Consensus LogP
0.97
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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