CAS RN: 1402838-09-8
“2-fluoro-6-(1-trityl-1H-imidazol-4-yl)benzaldehyde”
- Product code: SSC-050844
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1402838-09-8 / 2-fluoro-6-(1-tritylimidazol-4-yl)benzaldehyde
Basic Information
CAS
1402838-09-8
Multi CAS
No
Molecular Formula
C29H21FN2O
Molecular Weight
432.500000
Exact Mass
432.163791
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=C(C(=CC=C5)F)C=O
InChI
InChI=1S/C29H21FN2O/c30-27-18-10-17-25(26(27)20-33)28-19-32(21-31-28)29(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-21H
InChIKey
SRVOKSJOOBNPGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
29
Fraction Csp3
0.03
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
127.61
TPSA
34.89
LogP / Solubility
WLOGP
6.34
MLOGP
5.61
XLogP3
6
Consensus LogP
5.98
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1402838-14-5 tert-butyl 4-(2-(5H-imidazo[5,1-α]isoindol-5-yl)acetyl)piperidine-1-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 4-(2-(5H-imidazo[5,1-α]isoindol-5-yl)acetyl)piperidine-1-carboxylate
- CAS RN: 1402838-14-5
- Product Code: SSC-050845
-
1-[(4S)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]isoquinoline
- CAS RN: 1402851-52-8
- Product Code: starshine_CAS1402851-52-8
- Purity/Analytical method: >99.0%
-
1-[(4R)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]isoquinoline
- CAS RN: 1402851-53-9
- Product Code: starshine_CAS1402851-53-9
- Purity/Analytical method: >99.0%
-
R-3,3′-bis(3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol
- CAS RN: 1402852-05-4
- Product Code: starshine_CAS1402852-05-4
- Purity/Analytical method: >99.0%
-
4-Isoquinolinol, 7-bromo-
- CAS RN: 1402886-92-3
- Product Code: starshine_CAS1402886-92-3
- Purity/Analytical method: >99.0%
-
methyl 5-chloroH-imidazo[1,2-a]pyridine-8-carboxylate
- CAS RN: 1402911-36-7
- Product Code: starshine_CAS1402911-36-7
- Purity/Analytical method: >99.0%
![CAS 1402838-14-5 tert-butyl 4-(2-(5H-imidazo[5,1-α]isoindol-5-yl)acetyl)piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402838-14-5.gif)
![CAS 1402851-52-8 1-[(4S)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]isoquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402851-52-8.gif)
![CAS 1402851-53-9 1-[(4R)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]isoquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402851-53-9.gif)
![CAS 1402911-36-7 methyl 5-chloroH-imidazo[1,2-a]pyridine-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402911-36-7.gif)