![CAS 1795786-84-3 3-Methoxy-N-[(phenylMethoxy)carbonyl]-O-(phenylMethyl)-L-tyrosine-d3 Methyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32621518.gif)
CAS RN: 1795786-84-3
3-Methoxy-N-[(phenylMethoxy)carbonyl]-O-(phenylMethyl)-L-tyrosine-d3 Methyl 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.20250705 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1795786-84-3
- Purity/Analytical Methods: >99.0%
1795786-84-3 / methyl (2S)-2-(phenylmethoxycarbonylamino)-3-[4-phenylmethoxy-3-(trideuteriomethoxy)phenyl]propanoate
Basic Information
CAS
1795786-84-3
Multi CAS
No
Molecular Formula
C26H27NO6
Molecular Weight
452.500000
Exact Mass
452.202668
SMILES
[2H]C([2H])([2H])OC1=C(C=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C26H27NO6/c1-30-24-16-21(13-14-23(24)32-17-19-9-5-3-6-10-19)15-22(25(28)31-2)27-26(29)33-18-20-11-7-4-8-12-20/h3-14,16,22H,15,17-18H2,1-2H3,(H,27,29)/t22-/m0/s1/i1D3
InChIKey
YCRQPRYBXXTANN-MVTYLIICSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
123.04
TPSA
83.09
LogP / Solubility
WLOGP
4.28
MLOGP
3.8
XLogP3
4.8
Consensus LogP
4.29
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42
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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