CAS RN: 10290-61-6
BZ-MET-OH
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.20251004 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10290-61-6
- Purity/Analytical Methods: >99.0%
10290-61-6 / (2S)-2-benzamido-4-methylsulfanylbutanoic acid
N-Benzoyl-L-methionine | EINECS 233-646-9 | DTXSID80145564
Basic Information
CAS
10290-61-6
Multi CAS
Yes
Molecular Formula
C12H15NO3S
Molecular Weight
253.320000
Exact Mass
253.077265
SMILES
CSCC[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKey
PPFRJEXUPZWQPI-JTQLQIEISA-N
Synonyms
N-Benzoyl-L-methionine
EINECS 233-646-9
DTXSID80145564
NSC 164655
RefChem:162899
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.33
TPSA
66.4
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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- Product Code: starshine_CAS10294-28-7
- Purity/Analytical method: >99.0%