CAS RN: 524-30-1
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8 package records8 with current stock2 grade groups
- Product code: starshine_CAS524-30-1
- Purity/Analytical Methods: >99.0%
524-30-1 / 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Basic Information
CAS
524-30-1
Multi CAS
Yes
Molecular Formula
C16H18O10
Molecular Weight
370.310000
Exact Mass
370.089997
InChI
InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
InChIKey
CRSFLLTWRCYNNX-QBNNUVSCSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
85.1
TPSA
159.05
LogP / Solubility
WLOGP
-1.31
MLOGP
-1.14
XLogP3
-0.6
Consensus LogP
-1.02
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-5.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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5-BENZYL-2-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
- CAS RN: 524-81-2
- Product Code: SSC-159503
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FRAXIDIN
- CAS RN: 525-21-3
- Product Code: starshine_CAS525-21-3
- Purity/Analytical method: >99.0%
![CAS 524-81-2 5-BENZYL-2-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/524-81-2.gif)
