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CAS 69936-58-9 4-AMINOPHENYL-BETA-L-FUCOPYRANOSIDE molecular structure lightbox
CAS RN: 69936-58-9

4-AMINOPHENYL-BETA-L-FUCOPYRANOSIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251021 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS69936-58-9
  • Purity/Analytical Methods: >99.0%
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69936-58-9 / 2-(4-aminophenoxy)-6-methyloxane-3,4,5-triol

Standard CAS: 69936-58-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69936-58-9
Multi CAS
Yes
Molecular Formula
C12H17NO5
Molecular Weight
255.270000
Exact Mass
255.110673
InChI
InChI=1S/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3
InChIKey
CITVZWPAGDTXQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
63.84
TPSA
105.17

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.46
XLogP3
-0.5
Consensus LogP
-0.49
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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