CAS RN: 495-30-7
7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-m ethylethyl)-2,3-dihydro-, (S)-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS495-30-7
- Purity/Analytical Methods: >99.0%
495-30-7 / (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Basic Information
CAS
495-30-7
Multi CAS
Yes
Molecular Formula
C20H24O9
Molecular Weight
408.400000
Exact Mass
408.142032
InChI
InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14+,16-,17+,18-,19+/m1/s1
InChIKey
HXCGUCZXPFBNRD-NEDVQNLSSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
99.54
TPSA
138.82
LogP / Solubility
WLOGP
-0.31
MLOGP
-0.25
XLogP3
0.3
Consensus LogP
-0.09
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
-
NODAKENETIN
- CAS RN: 495-32-9
- Product Code: starshine_CAS495-32-9
- Purity/Analytical method: >99.0%
-
-
-
2,4-DIAMINOAZOBENZENE
- CAS RN: 495-54-5
- Product Code: starshine_CAS495-54-5
- Purity/Analytical method: >99.0%
-
