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CAS 96594-10-4 H-ALA-AMC TFA molecular structure lightbox
CAS RN: 96594-10-4

H-ALA-AMC TFA

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-212056
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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: ＞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 96594-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

96594-10-4 / (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide;2,2,2-trifluoroacetic acid

Standard CAS: 96594-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96594-10-4
Multi CAS
Yes
Molecular Formula
C15F3H15N2O5
Molecular Weight
360.280000
Exact Mass
360.093306
InChI
InChI=1S/C13H14N2O3.C2HF3O2/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14;3-2(4,5)1(6)7/h3-6,8H,14H2,1-2H3,(H,15,17);(H,6,7)/t8-;/m0./s1
InChIKey
YYGKKBUKGNFDJW-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
83.19
TPSA
122.63

LogP / Solubility

WLOGP
2.02
MLOGP
1.8
XLogP3
2.02
Consensus LogP
1.95
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.48

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
3

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