![CAS 199121-98-7 N,N’-Bis[4-di(m-tolyl)aminophenyl]-N,N’-diphenylbenzidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5634-jpgcontextbwfzdgvyfhjvb3r8mzu1mdz8aw1hz2uvanblz3xomjkvagzjlzg5mjkymta2nji5ndivqju2mzquanbnfgm3yjy4zgzjnmyyzwuynjm5mdzjyzcxzta0mzm3owjin2rjzja4ztg5njrkngm4zwqxodk0ndy0zgizytc1yjm.jpeg)
CAS RN: 199121-98-7
N,N’-Bis[4-di(m-tolyl)aminophenyl]-N,N’-diphenylbenzidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260123 | 200mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-093771
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
199121-98-7 / 1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine
Basic Information
CAS
199121-98-7
Multi CAS
No
Molecular Formula
C64H54N4
Molecular Weight
879.100000
Exact Mass
878.434848
SMILES
CC1=CC(=CC=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC(=C8)C)C9=CC=CC(=C9)C)C1=CC=CC(=C1)C
InChI
InChI=1S/C64H54N4/c1-47-15-11-23-61(43-47)67(62-24-12-16-48(2)44-62)59-39-35-57(36-40-59)65(53-19-7-5-8-20-53)55-31-27-51(28-32-55)52-29-33-56(34-30-52)66(54-21-9-6-10-22-54)58-37-41-60(42-38-58)68(63-25-13-17-49(3)45-63)64-26-14-18-50(4)46-64/h5-46H,1-4H3
InChIKey
SPDPTFAJSFKAMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
60
Fraction Csp3
0.06
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
289.56
TPSA
12.96
LogP / Solubility
WLOGP
18.47
MLOGP
16.33
XLogP3
18
Consensus LogP
17.6
Log S (ESOL)
-16.72
Class (ESOL)
Insoluble
Log S (Ali)
-20.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
5.03
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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