CAS RN: 1225146-53-1
Bz-Tz-acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260317 | 1mg / 10mg / 25mg | Confirm by inquiry | Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS1225146-53-1
- Purity/Analytical Methods: >99.0%
1225146-53-1 / 5-oxo-5-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]pentanoic acid
Basic Information
CAS
1225146-53-1
Multi CAS
No
Molecular Formula
C14H15N5O3
Molecular Weight
301.300000
Exact Mass
301.117489
SMILES
C1=CC(=CC=C1CNC(=O)CCCC(=O)O)C2=NN=CN=N2
InChI
InChI=1S/C14H15N5O3/c20-12(2-1-3-13(21)22)15-8-10-4-6-11(7-5-10)14-18-16-9-17-19-14/h4-7,9H,1-3,8H2,(H,15,20)(H,21,22)
InChIKey
KWNYIZNORNUUJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
76.39
TPSA
117.96
LogP / Solubility
WLOGP
0.8
MLOGP
0.72
XLogP3
-0.8
Consensus LogP
0.24
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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