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CAS 63064-49-3 Allyl 2-(Acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-α-D-glucopyranoside molecular structure lightbox
CAS RN: 63064-49-3

Allyl 2-(Acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-α-D-glucopyranoside

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS63064-49-3
  • Purity/Analytical Methods: >99.0%
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63064-49-3 / N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

Standard CAS: 63064-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63064-49-3
Multi CAS
Yes
Molecular Formula
C18H23NO6
Molecular Weight
349.400000
Exact Mass
349.152537
InChI
InChI=1S/C18H23NO6/c1-3-9-22-18-14(19-11(2)20)15(21)16-13(24-18)10-23-17(25-16)12-7-5-4-6-8-12/h3-8,13-18,21H,1,9-10H2,2H3,(H,19,20)/t13-,14-,15-,16-,17?,18+/m1/s1
InChIKey
RZNDVHTWHYQMRO-LPETVPRMSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.43
TPSA
86.25

LogP / Solubility

WLOGP
0.89
MLOGP
0.8
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.22

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
5.5

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