CAS RN: 400749-90-8
3′-METHYL-BIPHENYL-3-YLAMINE
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.20250105 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS400749-90-8
- Purity/Analytical Methods: >99.0%
400749-90-8 / 3-(3-methylphenyl)aniline
Basic Information
CAS
400749-90-8
Multi CAS
Yes
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
InChI
InChI=1S/C13H13N/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12/h2-9H,14H2,1H3
InChIKey
IGBRHNWAPXUJRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.03
TPSA
26.02
LogP / Solubility
WLOGP
3.24
MLOGP
2.85
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3′-FLUOROBIPHENYL-3-CARBALDEHYDE
- CAS RN: 400750-09-6
- Product Code: starshine_CAS400750-09-6
- Purity/Analytical method: >99.0%
-
-
-
3′-FLUORO-BIPHENYL-3-YLAMINE
- CAS RN: 400751-05-5
- Product Code: starshine_CAS400751-05-5
- Purity/Analytical method: >99.0%
-
4′-METHYL-BIPHENYL-3-YLAMINE
- CAS RN: 400751-16-8
- Product Code: starshine_CAS400751-16-8
- Purity/Analytical method: >99.0%
-
