CAS RN: 3422-39-7
H-GLU-TYR-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.20251015 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS3422-39-7
- Purity/Analytical Methods: >99.0%
3422-39-7 / 4-amino-5-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid
Basic Information
CAS
3422-39-7
Multi CAS
Yes
Molecular Formula
C14H18N2O6
Molecular Weight
310.300000
Exact Mass
310.116486
InChI
InChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)
InChIKey
YSWHPLCDIMUKFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
5
Molar refractivity
76.22
TPSA
149.95
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.25
XLogP3
-3.8
Consensus LogP
-1.45
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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