CAS RN: 96136-12-8
(R)-Methyl 2-(((benzyloxy)carbonyl)aMino)-3-((tert-butoxycarbonyl)aMino)propanoate
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.20260618 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS96136-12-8
- Purity/Analytical Methods: >99.0%
96136-12-8 / methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
Basic Information
CAS
96136-12-8
Multi CAS
Yes
Molecular Formula
C17H24N2O6
Molecular Weight
352.400000
Exact Mass
352.163436
InChI
InChI=1S/C17H24N2O6/c1-17(2,3)25-15(21)18-10-13(14(20)23-4)19-16(22)24-11-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChIKey
MDMZRMHNXPKKND-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
89.8
TPSA
102.96
LogP / Solubility
WLOGP
1.98
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.95
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-3.46
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
3
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