CAS RN: 478037-15-9
L-Tyrosine, O-(2-tosyloxyethyl)-N-trityl, tert-butyl ester
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.20250822 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS478037-15-9
- Purity/Analytical Methods: >99.0%
478037-15-9 / tert-butyl (2S)-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]-2-(tritylamino)propanoate
Basic Information
CAS
478037-15-9
Multi CAS
Yes
Molecular Formula
C41H43NO6S
Molecular Weight
677.800000
Exact Mass
677.281109
InChI
InChI=1S/C41H43NO6S/c1-31-20-26-37(27-21-31)49(44,45)47-29-28-46-36-24-22-32(23-25-36)30-38(39(43)48-40(2,3)4)42-41(33-14-8-5-9-15-33,34-16-10-6-11-17-34)35-18-12-7-13-19-35/h5-27,38,42H,28-30H2,1-4H3/t38-/m0/s1
InChIKey
KSGPTMKBCVMBBB-LHEWISCISA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
30
Fraction Csp3
0.24
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
1
Molar refractivity
191.93
TPSA
90.93
LogP / Solubility
WLOGP
7.61
MLOGP
6.76
XLogP3
8.7
Consensus LogP
7.69
Log S (ESOL)
-8.37
Class (ESOL)
Insoluble
Log S (Ali)
-10.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.07
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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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