CAS RN: 1372527-40-6
Dodoviscin I
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.20250126 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1372527-40-6
- Purity/Analytical Methods: >99.0%
1372527-40-6 / 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-3-methoxychromen-4-one
Basic Information
CAS
1372527-40-6
Multi CAS
No
Molecular Formula
C21H22O7
Molecular Weight
386.400000
Exact Mass
386.136553
SMILES
CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O)CO
InChI
InChI=1S/C21H22O7/c1-11(10-22)3-4-12-7-13(5-6-15(12)24)20-21(27-2)19(26)18-16(25)8-14(23)9-17(18)28-20/h5-9,11,22-25H,3-4,10H2,1-2H3
InChIKey
LMOYOATYLHNKNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
4
Molar refractivity
104.04
TPSA
120.36
LogP / Solubility
WLOGP
3.15
MLOGP
2.79
XLogP3
3.6
Consensus LogP
3.18
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1372553-45-1 IN1588, 2,6-Bis(trimethylstannyl)thieno[2′,3′:4,5]thieno[3,2-b]thieno[2,3-d]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1372553-45-1.gif)
