CAS RN: 91-97-4
4,4′-Diisocyanato-3,3′-dimethylbiphenyl
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250106 | 100g | In stock | Guangdong | Inquiry |
| Batchno.20251229 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251129 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20260526 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260205 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260202 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260124 | 5g | In stock | Shanghai, Chongqing | Inquiry |
- Product code: SSC-203778
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
91-97-4 / 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
Basic Information
CAS
91-97-4
Multi CAS
Yes
Molecular Formula
C16H12N2O2
Molecular Weight
264.280000
Exact Mass
264.089878
InChI
InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3
InChIKey
ICLCCFKUSALICQ-UHFFFAOYSA-N
Physical Properties
Physical Description
Pellets or Large Crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
76.92
TPSA
58.86
LogP / Solubility
WLOGP
3.91
MLOGP
3.44
XLogP3
5.9
Consensus LogP
4.42
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly 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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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