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CAS 1644644-96-1 Methyltetrazine-NHS Ester molecular structure lightbox
CAS RN: 1644644-96-1

Methyltetrazine-NHS Ester

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250729 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260521 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250330 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250709 5g In stock Shanghai Inquiry
  • Product code: SSC-071907
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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: 4
  • 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 1644644-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1644644-96-1 / (2,5-dioxopyrrolidin-1-yl) 2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate

Standard CAS: 1644644-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1644644-96-1
Multi CAS
No
Molecular Formula
C15H13N5O4
Molecular Weight
327.290000
Exact Mass
327.096754
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C15H13N5O4/c1-9-16-18-15(19-17-9)11-4-2-10(3-5-11)8-14(23)24-20-12(21)6-7-13(20)22/h2-5H,6-8H2,1H3
InChIKey
BIHJLZOOHNOUCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
78.68
TPSA
115.24

LogP / Solubility

WLOGP
0.39
MLOGP
0.36
XLogP3
-0.4
Consensus LogP
0.12
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-4.44

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
2.5

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