CAS RN: 1610043-62-3
1-(5-(2-fluorophenyl)-1H-pyrrol-3-yl)-N-methylmethanamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260515 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-068770
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 |
1610043-62-3 / 1-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]-N-methylmethanamine
Basic Information
CAS
1610043-62-3
Multi CAS
No
Molecular Formula
C12H13FN2
Molecular Weight
204.240000
Exact Mass
204.106277
SMILES
CNCC1=CNC(=C1)C2=CC=CC=C2F
InChI
InChI=1S/C12H13FN2/c1-14-7-9-6-12(15-8-9)10-4-2-3-5-11(10)13/h2-6,8,14-15H,7H2,1H3
InChIKey
XJZQDVQLOSFFRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
58.95
TPSA
27.82
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
1.8
Consensus LogP
2.19
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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