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CAS 1802907-97-6 Methyltetrazine-PEG5-Alkyne molecular structure lightbox
CAS RN: 1802907-97-6

Methyltetrazine-PEG5-Alkyne

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 100mg Out of stock Inquiry
Batchno.20250916 10mg In stock Shanghai Inquiry
Batchno.20250418 10mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20251024 25mg Out of stock Inquiry
Batchno.20250221 50mg Out of stock Inquiry
  • Product code: SSC-080716
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1802907-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1802907-97-6 / 3-methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine

Standard CAS: 1802907-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1802907-97-6
Multi CAS
No
Molecular Formula
C20H26N4O5
Molecular Weight
402.400000
Exact Mass
402.190320
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCC#C
InChI
InChI=1S/C20H26N4O5/c1-3-8-25-9-10-26-11-12-27-13-14-28-15-16-29-19-6-4-18(5-7-19)20-23-21-17(2)22-24-20/h1,4-7H,8-16H2,2H3
InChIKey
OAKPIEOTVXLRCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
9
Molar refractivity
105.4
TPSA
97.71

LogP / Solubility

WLOGP
1.32
MLOGP
1.19
XLogP3
0.2
Consensus LogP
0.9
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly 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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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