CAS RN: 201209-83-8
BZL-SER(BZL)-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.20260206 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS201209-83-8
- Purity/Analytical Methods: >99.0%
201209-83-8 / (2S)-2-(benzylamino)-3-phenylmethoxypropanoic acid
Basic Information
CAS
201209-83-8
Multi CAS
No
Molecular Formula
C17H19NO3
Molecular Weight
285.340000
Exact Mass
285.136493
SMILES
C1=CC=C(C=C1)CN[C@@H](COCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H19NO3/c19-17(20)16(18-11-14-7-3-1-4-8-14)13-21-12-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,20)/t16-/m0/s1
InChIKey
FVRIECPGKNPENC-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.8
TPSA
58.56
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
1.1
Consensus LogP
1.9
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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