CAS RN: 1345445-57-9
IQ-R
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.20250606 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1345445-57-9
- Purity/Analytical Methods: >99.0%
1345445-57-9 / (5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methyl 2-[3-(dimethylamino)-6-oxoxanthen-9-yl]benzoate
Basic Information
CAS
1345445-57-9
Multi CAS
No
Molecular Formula
C34H28N2O7
Molecular Weight
576.600000
Exact Mass
576.189651
SMILES
CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC(=O)C3=CC=CC=C3C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)N(C)C
InChI
InChI=1S/C34H28N2O7/c1-18-25(31-32(36(18)4)26(38)16-29(41-5)33(31)39)17-42-34(40)22-9-7-6-8-21(22)30-23-12-10-19(35(2)3)14-27(23)43-28-15-20(37)11-13-24(28)30/h6-16H,17H2,1-5H3
InChIKey
XAVOZQBGUYUYJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
25
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
161.89
TPSA
108.05
LogP / Solubility
WLOGP
5.54
MLOGP
4.92
XLogP3
3.9
Consensus LogP
4.79
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-8.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
tert-butyl 5,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-oxopyridine-1(2H)-carboxylate
- CAS RN: 1345469-26-2
- Product Code: SSC-042378
-
-
-
3′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1′-biphenyl]-3-carbonitrile
- CAS RN: 1345508-91-9
- Product Code: starshine_CAS1345508-91-9
- Purity/Analytical method: >99.0%
-
1-(3-hydroxy-2-methylquinolin-4-yl)ethanone
- CAS RN: 1345515-22-1
- Product Code: SSC-042387
-
AM-095
- CAS RN: 1345614-59-6
- Product Code: starshine_CAS1345614-59-6
- Purity/Analytical method: >99.0%
![CAS 1345508-91-9 3′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1′-biphenyl]-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1345508-91-9.gif)
