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CAS 36476-29-6 4-Methylumbelliferyl 2-Acetamido-2-deoxy-β-D-galactopyranoside molecular structure lightbox
CAS RN: 36476-29-6

4-Methylumbelliferyl 2-Acetamido-2-deoxy-β-D-galactopyranoside

  • Product code: SSC-143655
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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 36476-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

36476-29-6 / N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamide

Standard CAS: 36476-29-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36476-29-6
Multi CAS
Yes
Molecular Formula
C18H21NO8
Molecular Weight
379.400000
Exact Mass
379.126717
InChI
InChI=1S/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)
InChIKey
QCTHLCFVVACBSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
93.21
TPSA
138.46

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.49
XLogP3
-0.8
Consensus LogP
-0.62
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-5.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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