CAS RN: 853138-65-5
PHENYLGLYCINE-01
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260105 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS853138-65-5
- Purity/Analytical Methods: >99.0%
853138-65-5 / 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
Basic Information
CAS
853138-65-5
Multi CAS
Yes
Molecular Formula
C28H29N3O2
Molecular Weight
439.500000
Exact Mass
439.225977
InChI
InChI=1S/C28H29N3O2/c1-19(2)20-13-15-23(16-14-20)30-28(33)27(21-9-5-4-6-10-21)31(3)26(32)17-22-18-29-25-12-8-7-11-24(22)25/h4-16,18-19,27,29H,17H2,1-3H3,(H,30,33)
InChIKey
PQAYCXMQTUEDRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
133.12
TPSA
65.2
LogP / Solubility
WLOGP
5.67
MLOGP
5.02
XLogP3
5.2
Consensus LogP
5.3
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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