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CAS RN: 3685-06-1
(R)-2,2μ-Diamino-6,6μ-dimethylbiphenyl, (R)-6,6μ-Dimethyl-2,2μ-diaminobiphenyl, (R)-6,6μ-Dimethyl-1,1μ-biphenyl-2,2μ-diamine, (R)-6,6μ-Dimethyl-1,1μ-biphenyl-2,2μ-diyldiamine
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS3685-06-1
- Purity/Analytical Methods: >99.0%
3685-06-1 / 2-(2-amino-6-methylphenyl)-3-methylaniline
Basic Information
CAS
3685-06-1
Multi CAS
No
Molecular Formula
C14H16N2
Molecular Weight
212.290000
Exact Mass
212.131349
InChI
InChI=1S/C14H16N2/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8H,15-16H2,1-2H3
InChIKey
MCUUKQCKNKUMBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.18
TPSA
52.04
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
2.9
Consensus LogP
2.93
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS3682-04-0
- Purity/Analytical method: >99.0%
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