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CAS 2007915-94-6 Dbco-Amine TFA molecular structure lightbox
CAS RN: 2007915-94-6

Dbco-Amine TFA

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250711 100mg Out of stock Inquiry
Batchno.20260311 250mg Out of stock Inquiry
Batchno.20260118 50mg Out of stock Inquiry
Batchno.20250901 50mg / 100mg / 250mg Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-094675
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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: 0.1g
  • Available purity: ＞97%
  • 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 2007915-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry

2007915-94-6 / 3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)propan-1-one;2,2,2-trifluoroacetic acid

Standard CAS: 2007915-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007915-94-6
Multi CAS
No
Molecular Formula
C20H17F3N2O3
Molecular Weight
390.400000
Exact Mass
390.119127
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C18H16N2O.C2HF3O2/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20;3-2(4,5)1(6)7/h1-8H,11-13,19H2;(H,6,7)
InChIKey
MDQWCTLOLOBAMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.42
TPSA
83.63

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
2.92
Consensus LogP
2.81
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

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

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