CAS RN: 799283-93-5
1-(5-Bromopyrimidin-2-yl)piperidine-3-carboxylic acid
- Product code: SSC-188942
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 |
799283-93-5 / 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylic acid
Basic Information
CAS
799283-93-5
Multi CAS
Yes
Molecular Formula
BC10H12O2Rn3
Molecular Weight
286.130000
Exact Mass
285.011290
InChI
InChI=1S/C10H12BrN3O2/c11-8-4-12-10(13-5-8)14-3-1-2-7(6-14)9(15)16/h4-5,7H,1-3,6H2,(H,15,16)
InChIKey
UTUXFIHDAKRGAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.3
TPSA
66.32
LogP / Solubility
WLOGP
1.54
MLOGP
1.37
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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- CAS RN: 799293-93-9
- Product Code: starshine_CAS799293-93-9
- Purity/Analytical method: >99.0%
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