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CAS 905442-42-4 H-(7-HydroxycouMarin-4-yl)-ethyl-Gly-OH, H-(UMbellifer-4-yl)-ethyl-Gly-OH molecular structure lightbox
CAS RN: 905442-42-4

H-(7-HydroxycouMarin-4-yl)-ethyl-Gly-OH, H-(UMbellifer-4-yl)-ethyl-Gly-OH

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 250mg In stock Shanghai Inquiry
Batchno.20251006 50mg In stock Shanghai, Hebei Inquiry
  • Product code: SSC-203066
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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: 1g
  • 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 905442-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

905442-42-4 / (7-hydroxy-2-oxochromen-4-yl) 2-(ethylamino)acetate

Standard CAS: 905442-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
905442-42-4
Multi CAS
Yes
Molecular Formula
C13H13NO5
Molecular Weight
263.250000
Exact Mass
263.079373
InChI
InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1
InChIKey
QEQAKQQRJFWPOR-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
68.33
TPSA
88.77

LogP / Solubility

WLOGP
1.01
MLOGP
0.9
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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