CAS RN: 7801-80-1
BOC-SER(AC)-OH DCHA
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.20250313 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7801-80-1
- Purity/Analytical Methods: >99.0%
7801-80-1 / (2S)-3-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
7801-80-1
Multi CAS
Yes
Molecular Formula
C10H17NO6
Molecular Weight
247.240000
Exact Mass
247.105587
InChI
InChI=1S/C10H17NO6/c1-6(12)16-5-7(8(13)14)11-9(15)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,15)(H,13,14)/t7-/m0/s1
InChIKey
SRVNTRAORYFMKK-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.43
TPSA
101.93
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.4
Consensus LogP
0.47
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-3.85
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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