![CAS 949285-98-7 1-TETRAZOLO[1,5-B]PYRIDAZIN-6-YLPIPERIDINE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/949285-98-7.gif)
CAS RN: 949285-98-7
1-TETRAZOLO[1,5-B]PYRIDAZIN-6-YLPIPERIDINE-4-CARBOXYLIC ACID
- Product code: SSC-210127
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 |
949285-98-7 / 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxylic acid
Basic Information
CAS
949285-98-7
Multi CAS
No
Molecular Formula
C10H12N6O2
Molecular Weight
248.240000
Exact Mass
248.102174
InChI
InChI=1S/C10H12N6O2/c17-10(18)7-3-5-15(6-4-7)9-2-1-8-11-13-14-16(8)12-9/h1-2,7H,3-6H2,(H,17,18)
InChIKey
YBTWJKNOMOCPKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
61.15
TPSA
96.51
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.15
XLogP3
0.4
Consensus LogP
0.02
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.36
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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