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 | Beijing | Inquiry |
7541-76-6 / (4-formylphenyl)-trimethylazanium iodide
Basic Information
CAS
7541-76-6
Multi CAS
Yes
Molecular Formula
C10H14InO
Molecular Weight
291.130000
Exact Mass
291.012010
InChI
InChI=1S/C10H14NO.HI/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKey
AHWRLQSSGMGGFR-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
51.4
TPSA
17.07
LogP / Solubility
WLOGP
-1.3
MLOGP
-1.13
XLogP3
-1.3
Consensus LogP
-1.24
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
![CAS 7544-64-1 2,4-DIMETHYL-[1,8]NAPHTHYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7544-64-1.gif)
