CAS RN: 1431536-92-3
6-Iodo DiosMin
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.20260310 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1431536-92-3
- Purity/Analytical Methods: >99.0%
1431536-92-3 / 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-iodo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Basic Information
CAS
1431536-92-3
Multi CAS
No
Molecular Formula
C28H31IO15
Molecular Weight
734.400000
Exact Mass
734.070770
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)I)O)O)O)O)O)O
InChI
InChI=1S/C28H31IO15/c1-9-20(32)23(35)25(37)27(41-9)40-8-17-21(33)24(36)26(38)28(44-17)43-16-7-15-18(22(34)19(16)29)12(31)6-14(42-15)10-3-4-13(39-2)11(30)5-10/h3-7,9,17,20-21,23-28,30,32-38H,8H2,1-2H3/t9-,17+,20-,21+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey
ODHZOEUTFCPQMO-MBXQFJRTSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
15
H-bond donors
8
Molar refractivity
156.14
TPSA
238.2
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.36
XLogP3
-0.2
Consensus LogP
-0.35
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-7.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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