[email protected]
CAS 499-20-7 DHURRIN molecular structure lightbox
CAS RN: 499-20-7

DHURRIN

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250130 10mg Out of stock Inquiry
Batchno.20250216 1mg Out of stock Inquiry
Batchno.20260114 5mg Out of stock Inquiry
  • Product code: starshine_CAS499-20-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

499-20-7 / (2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

Standard CAS: 499-20-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
499-20-7
Multi CAS
Yes
Molecular Formula
C14H17NO7
Molecular Weight
311.290000
Exact Mass
311.100502
InChI
InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
InChIKey
NVLTYOJHPBMILU-YOVYLDAJSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
5
Molar refractivity
71.31
TPSA
143.4

LogP / Solubility

WLOGP
-1.23
MLOGP
-1.07
XLogP3
-0.9
Consensus LogP
-1.07
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-5.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us