CAS RN: 15545-10-5
Z-HIS-OME
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 100mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-064743
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
15545-10-5 / methyl (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
Basic Information
CAS
15545-10-5
Multi CAS
No
Molecular Formula
C15H17N3O4
Molecular Weight
303.310000
Exact Mass
303.121906
SMILES
COC(=O)[C@H](CC1=CN=CN1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H17N3O4/c1-21-14(19)13(7-12-8-16-10-17-12)18-15(20)22-9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3,(H,16,17)(H,18,20)/t13-/m0/s1
InChIKey
KLEOALLEVMGHEC-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.86
TPSA
93.31
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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