![CAS 36415-91-5 5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-D-glucopyranosyl)oxy]-1-benzopyrylium chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36415-91-5.gif)
CAS RN: 36415-91-5
5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-D-glucopyranosyl)oxy]-1-benzopyrylium chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260304 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36415-91-5
- Purity/Analytical Methods: >99.0%
36415-91-5 / (2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Basic Information
CAS
36415-91-5
Multi CAS
Yes
Molecular Formula
C32H39CLO21
Molecular Weight
795.100000
Exact Mass
794.167236
InChI
InChI=1S/C32H38O21.ClH/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30;/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39);1H/t14-,18-,19-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-;/m1./s1
InChIKey
YBQPFHZHJBQQGV-BTIHIVKHSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
16
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
20
H-bond donors
14
Molar refractivity
168.13
TPSA
349.9
LogP / Solubility
WLOGP
-6.97
MLOGP
-6.06
XLogP3
-6.97
Consensus LogP
-6.67
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very 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)
-12.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
-
-
Benzoxazole, 2,2′-[(1E)-1,2-ethenediyldi-4,1-phenylene]bis- (9CI)
- CAS RN: 36422-63-6
- Product Code: starshine_CAS36422-63-6
- Purity/Analytical method: >99.0%
-
pyrene-2-carboxylic acid
- CAS RN: 36428-96-3
- Product Code: starshine_CAS36428-96-3
- Purity/Analytical method: >99.0%
-
2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran
- CAS RN: 36431-22-8
- Product Code: SSC-143613
-
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene
- CAS RN: 36431-72-8
- Product Code: SSC-143614
![CAS 36422-63-6 Benzoxazole, 2,2′-[(1E)-1,2-ethenediyldi-4,1-phenylene]bis- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36422-63-6.gif)
![CAS 36431-72-8 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36431-72-8.gif)