CAS RN: 137197-06-9
AC-THR(AC)-OH
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250507 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS137197-06-9
- Purity/Analytical Methods: >99.0%
137197-06-9 / (2S,3R)-2-acetamido-3-acetyloxybutanoic acid
Basic Information
CAS
137197-06-9
Multi CAS
No
Molecular Formula
C8H13NO5
Molecular Weight
203.190000
Exact Mass
203.079373
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)C)OC(=O)C
InChI
InChI=1S/C8H13NO5/c1-4(14-6(3)11)7(8(12)13)9-5(2)10/h4,7H,1-3H3,(H,9,10)(H,12,13)/t4-,7+/m1/s1
InChIKey
FHYSLJXFHVWFLV-FBCQKBJTSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.47
TPSA
92.7
LogP / Solubility
WLOGP
-0.47
MLOGP
-0.42
XLogP3
-0.5
Consensus LogP
-0.46
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
spinorphin
- CAS RN: 137201-62-8
- Product Code: starshine_CAS137201-62-8
- Purity/Analytical method: >99.0%
-
Bis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct
- CAS RN: 137203-34-0
- Product Code: starshine_CAS137203-34-0
- Purity/Analytical method: >99.0%
-
4-aMino-5-chloro-2,3-dihydro-N-4-piperidinyl-7-BenzofurancarboxaMide
- CAS RN: 137211-64-4
- Product Code: starshine_CAS137211-64-4
- Purity/Analytical method: >99.0%
-
-
-
Plitidepsin
- CAS RN: 137219-37-5
- Product Code: starshine_CAS137219-37-5
- Purity/Analytical method: >99.0%
![CAS 137203-34-0 Bis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/137203-34-0.gif)
