![CAS 2349340-78-7 L-Tyrosine, 2-chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2349340-78-7.gif)
CAS RN: 2349340-78-7
L-Tyrosine, 2-chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-methyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2349340-78-7
- Purity/Analytical Methods: >99.0%
2349340-78-7 / (2S)-3-(2-chloro-4-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
2349340-78-7
Multi CAS
No
Molecular Formula
C25H22ClNO5
Molecular Weight
451.900000
Exact Mass
451.118651
SMILES
COC1=CC(=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
InChI
InChI=1S/C25H22ClNO5/c1-31-16-11-10-15(22(26)13-16)12-23(24(28)29)27-25(30)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-11,13,21,23H,12,14H2,1H3,(H,27,30)(H,28,29)/t23-/m0/s1
InChIKey
HOKDIIQTWOYLCT-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
121.34
TPSA
84.86
LogP / Solubility
WLOGP
4.88
MLOGP
4.33
XLogP3
5.2
Consensus LogP
4.8
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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