CAS RN: 42537-96-2
Z-LEU-ILE-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.20251111 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42537-96-2
- Purity/Analytical Methods: >99.0%
42537-96-2 / 3-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid
Basic Information
CAS
42537-96-2
Multi CAS
Yes
Molecular Formula
C20H30N2O5
Molecular Weight
378.500000
Exact Mass
378.215472
InChI
InChI=1S/C20H30N2O5/c1-5-14(4)17(19(24)25)22-18(23)16(11-13(2)3)21-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,26)(H,22,23)(H,24,25)/t14-,16-,17-/m0/s1
InChIKey
VFBACQGDAHTASH-XIRDDKMYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
102.03
TPSA
104.73
LogP / Solubility
WLOGP
2.94
MLOGP
2.61
XLogP3
3.2
Consensus LogP
2.92
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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