CAS RN: 733-40-4
9,10-Dimethoxyptercarpan……
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.20250118 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS733-40-4
- Purity/Analytical Methods: >99.0%
733-40-4 / N-decyl-4-methoxyaniline
Basic Information
CAS
733-40-4
Multi CAS
Yes
Molecular Formula
C17H29NO
Molecular Weight
263.400000
Exact Mass
263.224915
InChI
InChI=1S/C17H29NO/c1-3-4-5-6-7-8-9-10-15-18-16-11-13-17(19-2)14-12-16/h11-14,18H,3-10,15H2,1-2H3
InChIKey
JJBKULCJBJQXRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.09
TPSA
21.26
LogP / Solubility
WLOGP
5.25
MLOGP
4.63
XLogP3
6.4
Consensus LogP
5.43
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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