CAS RN: 1197194-31-2
Sutchuenmedin A
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.20260324 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1197194-31-2
- Purity/Analytical Methods: >99.0%
1197194-31-2 / 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Basic Information
CAS
1197194-31-2
Multi CAS
Yes
Molecular Formula
C33H38O14
Molecular Weight
658.600000
Exact Mass
658.226156
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C(=CC5=C4C=CC(O5)(C)C)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O
InChI
InChI=1S/C33H38O14/c1-13-21(35)24(38)26(40)31(42-13)46-30-25(39)22(36)14(2)43-32(30)45-29-23(37)20-18(34)12-19-17(10-11-33(3,4)47-19)28(20)44-27(29)15-6-8-16(41-5)9-7-15/h6-14,21-22,24-26,30-32,34-36,38-40H,1-5H3/t13-,14-,21-,22-,24+,25+,26+,30+,31-,32-/m0/s1
InChIKey
WNTBDGJNPGBIQF-NLDOALJTSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
6
Molar refractivity
164.08
TPSA
206.97
LogP / Solubility
WLOGP
1.42
MLOGP
1.3
XLogP3
1.7
Consensus LogP
1.47
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly 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)
-5.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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