CAS RN: 615553-60-1
(R)-a-(Fmoc-amino)-3-hydroxy-benzeneacetic acid
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.20250916 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS615553-60-1
- Purity/Analytical Methods: >99.0%
615553-60-1 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-hydroxyphenyl)acetic acid
Basic Information
CAS
615553-60-1
Multi CAS
Yes
Molecular Formula
C23H19NO5
Molecular Weight
389.400000
Exact Mass
389.126323
InChI
InChI=1S/C23H19NO5/c25-15-7-5-6-14(12-15)21(22(26)27)24-23(28)29-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20-21,25H,13H2,(H,24,28)(H,26,27)/t21-/m1/s1
InChIKey
JAVDQXYAZCMANV-OAQYLSRUSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
106.69
TPSA
95.86
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
4
Consensus LogP
3.88
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
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)
-2.22
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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