[email protected]
CAS 31302-52-0 4-AMINOPHENYL-ALPHA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 31302-52-0

4-AMINOPHENYL-ALPHA-D-GLUCOPYRANOSIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31302-52-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

31302-52-0 / 2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 31302-52-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31302-52-0
Multi CAS
Yes
Molecular Formula
C12H17NO6
Molecular Weight
271.270000
Exact Mass
271.105587
InChI
InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1
InChIKey
MIAKOEWBCMPCQR-IIRVCBMXSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
5
Molar refractivity
65.25
TPSA
125.4

LogP / Solubility

WLOGP
-1.55
MLOGP
-1.36
XLogP3
-1
Consensus LogP
-1.3
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-5.48

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

Customers Also Viewed

Get In Touch

Contact Us