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CAS 63598-32-3 Methyl 4,6-O-Benzylidene-2-deoxy-α-D-erythro-hexopyranosid-3-ulose Oxime molecular structure lightbox
CAS RN: 63598-32-3

Methyl 4,6-O-Benzylidene-2-deoxy-α-D-erythro-hexopyranosid-3-ulose Oxime

  • Product code: SSC-173302
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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 63598-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

63598-32-3 / N-(6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ylidene)hydroxylamine

Standard CAS: 63598-32-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63598-32-3
Multi CAS
Yes
Molecular Formula
C14H17NO5
Molecular Weight
279.290000
Exact Mass
279.110673
InChI
InChI=1S/C14H17NO5/c1-17-12-7-10(15-16)13-11(19-12)8-18-14(20-13)9-5-3-2-4-6-9/h2-6,11-14,16H,7-8H2,1H3
InChIKey
ZVPSUEFQWUNIMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
69.52
TPSA
69.51

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.1
Consensus LogP
1.43
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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