CAS RN: 159152-14-4
5-MESITYLDIPYRROMETHANE
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-067198
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
159152-14-4 / 2-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
Basic Information
CAS
159152-14-4
Multi CAS
No
Molecular Formula
C18H20N2
Molecular Weight
264.400000
Exact Mass
264.162649
SMILES
CC1=CC(=C(C(=C1)C)C(C2=CC=CN2)C3=CC=CN3)C
InChI
InChI=1S/C18H20N2/c1-12-10-13(2)17(14(3)11-12)18(15-6-4-8-19-15)16-7-5-9-20-16/h4-11,18-20H,1-3H3
InChIKey
LMSFUWKGADQXES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
3
H-bond donors
2
Molar refractivity
83.18
TPSA
31.58
LogP / Solubility
WLOGP
4.45
MLOGP
3.92
XLogP3
4
Consensus LogP
4.12
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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