CAS RN: 55478-23-4
Z-DAB(Z)-OH
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.20260515 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55478-23-4
- Purity/Analytical Methods: >99.0%
55478-23-4 / (2S)-2,4-bis(phenylmethoxycarbonylamino)butanoic acid
Basic Information
CAS
55478-23-4
Multi CAS
Yes
Molecular Formula
C20H22N2O6
Molecular Weight
386.400000
Exact Mass
386.147786
InChI
InChI=1S/C20H22N2O6/c23-18(24)17(22-20(26)28-14-16-9-5-2-6-10-16)11-12-21-19(25)27-13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,21,25)(H,22,26)(H,23,24)/t17-/m0/s1
InChIKey
NJJLJGVZPXYNGT-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
100.43
TPSA
113.96
LogP / Solubility
WLOGP
2.68
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
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)
-3.17
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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