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CAS 1380500-88-8 Methyltetrazine-Acid molecular structure lightbox
CAS RN: 1380500-88-8

Methyltetrazine-Acid

Product Availability

Choose a grade to view its available package options.

4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260506 1g Out of stock Inquiry
Batchno.20251031 250mg Out of stock Inquiry
Batchno.20260429 5g Out of stock Inquiry
  • Product code: SSC-048039
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1380500-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1380500-88-8 / 2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetic acid

Standard CAS: 1380500-88-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1380500-88-8
Multi CAS
No
Molecular Formula
C11H10N4O2
Molecular Weight
230.220000
Exact Mass
230.080376
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C11H10N4O2/c1-7-12-14-11(15-13-7)9-4-2-8(3-5-9)6-10(16)17/h2-5H,6H2,1H3,(H,16,17)
InChIKey
TZNOWMYISKGWCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.13
TPSA
88.86

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.1
Consensus LogP
0.58
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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