CAS RN: 52799-86-7
H-TYR-OBZL
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.20260104 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52799-86-7
- Purity/Analytical Methods: >99.0%
52799-86-7 / benzyl 2-amino-3-(4-phenylmethoxyphenyl)propanoate
Basic Information
CAS
52799-86-7
Multi CAS
Yes
Molecular Formula
C23H23NO3
Molecular Weight
361.400000
Exact Mass
361.167794
InChI
InChI=1S/C23H23NO3/c24-22(23(25)27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19/h1-14,22H,15-17,24H2/t22-/m0/s1
InChIKey
UCRXQUVKDMVBBM-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.13
TPSA
61.55
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
4.2
Consensus LogP
3.84
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.17
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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- Product Code: starshine_CAS52807-12-2
- Purity/Analytical method: >99.0%
