CAS RN: 14325-36-1
BZ-CIT-OME
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.20260318 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14325-36-1
- Purity/Analytical Methods: >99.0%
14325-36-1 / methyl (2S)-2-benzamido-5-(carbamoylamino)pentanoate
Basic Information
CAS
14325-36-1
Multi CAS
No
Molecular Formula
C14H19N3O4
Molecular Weight
293.320000
Exact Mass
293.137556
SMILES
COC(=O)[C@H](CCCNC(=O)N)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H19N3O4/c1-21-13(19)11(8-5-9-16-14(15)20)17-12(18)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18)(H3,15,16,20)/t11-/m0/s1
InChIKey
ARLRYYLMUJSMGC-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
76.53
TPSA
110.52
LogP / Solubility
WLOGP
0.41
MLOGP
0.37
XLogP3
0.6
Consensus LogP
0.46
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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