CAS RN: 22503-17-9
3,5-DIAMINO-TERT-BUTYLBENZENE
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.20251111 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22503-17-9
- Purity/Analytical Methods: >99.0%
22503-17-9 / 5-tert-butylbenzene-1,3-diamine
Basic Information
CAS
22503-17-9
Multi CAS
No
Molecular Formula
C10H16N2
Molecular Weight
164.250000
Exact Mass
164.131349
SMILES
CC(C)(C)C1=CC(=CC(=C1)N)N
InChI
InChI=1S/C10H16N2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,11-12H2,1-3H3
InChIKey
XPHAFSOLRVPZIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.97
TPSA
52.04
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.2
Consensus LogP
2.08
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
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
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- Product Code: starshine_CAS22504-72-9
- Purity/Analytical method: >99.0%
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