CAS RN: 1263046-25-8
TRT-DPR(FMOC)-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.20251018 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263046-25-8
- Purity/Analytical Methods: >99.0%
1263046-25-8 / (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(tritylamino)propanoic acid
Basic Information
CAS
1263046-25-8
Multi CAS
No
Molecular Formula
C37H32N2O4
Molecular Weight
568.700000
Exact Mass
568.236208
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N[C@@H](CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C37H32N2O4/c40-35(41)34(24-38-36(42)43-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)39-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34,39H,24-25H2,(H,38,42)(H,40,41)/t34-/m0/s1
InChIKey
SUDPKNWTNWZJPY-UMSFTDKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
30
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
166.84
TPSA
87.66
LogP / Solubility
WLOGP
6.56
MLOGP
5.82
XLogP3
4.7
Consensus LogP
5.69
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
-
-
4,5-DIHYDRO-2-(6-HYDROXY-2-BENZOTHIAZOLYL)-4-THIAZOLECARBOXYLIC ACID POTASSIUM SALT
- CAS RN: 1263046-66-7
- Product Code: SSC-033289
-
-
-
