CAS RN: 73255-40-0
Moringin
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: starshine_CAS73255-40-0
- Purity/Analytical Methods: >99.0%
73255-40-0 / (2S,3R,4R,5R,6S)-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol
Basic Information
CAS
73255-40-0
Multi CAS
Yes
Molecular Formula
C14H17NO5S
Molecular Weight
311.360000
Exact Mass
311.082744
InChI
InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3/t8-,11-,12+,13+,14-/m0/s1
InChIKey
QAZIHHJTZPNRCM-CNJBRALLSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
78.16
TPSA
91.51
LogP / Solubility
WLOGP
0.5
MLOGP
0.45
XLogP3
1.9
Consensus LogP
0.95
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-4.27
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
Customers Also Viewed
-
Isobicyclogermacrenal
- CAS RN: 73256-82-3
- Product Code: starshine_CAS73256-82-3
- Purity/Analytical method: >99.0%
-
Dimethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- CAS RN: 73257-49-5
- Product Code: SSC-182721
-
1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))-
- CAS RN: 73263-62-4
- Product Code: starshine_CAS73263-62-4
- Purity/Analytical method: >99.0%
-
6-IAF
- CAS RN: 73264-12-7
- Product Code: starshine_CAS73264-12-7
- Purity/Analytical method: >99.0%
-
Sucrose octasulfate Potassium salt
- CAS RN: 73264-44-5
- Product Code: starshine_CAS73264-44-5
- Purity/Analytical method: >99.0%
-
