![CAS 57601-61-3 6,6,10,10-Tetramethyl-2H,6H,10H-benzo[1,2-b:3,4-b’:5,6-b”]tripyran-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57601-61-3.gif)
CAS RN: 57601-61-3
6,6,10,10-Tetramethyl-2H,6H,10H-benzo[1,2-b:3,4-b’:5,6-b”]tripyran-2-one
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.20260112 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57601-61-3
- Purity/Analytical Methods: >99.0%
57601-61-3 / 10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11,17-hexaen-4-one
Basic Information
CAS
57601-61-3
Multi CAS
No
Molecular Formula
C19H18O4
Molecular Weight
310.300000
Exact Mass
310.120509
InChI
InChI=1S/C19H18O4/c1-18(2)9-7-12-15-11(5-6-14(20)21-15)16-13(17(12)23-18)8-10-19(3,4)22-16/h5-10H,1-4H3
InChIKey
BHLCTWNBGOOKAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.32
H-bond acceptors
4
Molar refractivity
89.97
TPSA
48.67
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
3.8
Consensus LogP
3.88
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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