CAS RN: 73297-49-1
M-TOLUIDINE SULFATE
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.20250321 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS73297-49-1
- Purity/Analytical Methods: >99.0%
73297-49-1 / bis(3-methylaniline);sulfuric acid
Basic Information
CAS
73297-49-1
Multi CAS
Yes
Molecular Formula
C14H20N2O4S
Molecular Weight
312.390000
Exact Mass
312.114378
InChI
InChI=1S/2C7H9N.H2O4S/c2*1-6-3-2-4-7(8)5-6;1-5(2,3)4/h2*2-5H,8H2,1H3;(H2,1,2,3,4)
InChIKey
ZVNDLRVDJSIWRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
85.36
TPSA
126.64
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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