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 | Hong Kong | Inquiry |
71719-06-7 / 3-bromo-5-pyrrolidin-2-ylpyridine
Basic Information
CAS
71719-06-7
Multi CAS
Yes
Molecular Formula
BC9H11Rn2
Molecular Weight
227.100000
Exact Mass
226.010560
InChI
InChI=1S/C9H11BrN2/c10-8-4-7(5-11-6-8)9-2-1-3-12-9/h4-6,9,12H,1-3H2
InChIKey
APOQHGHGEPQGOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.91
TPSA
24.92
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
0.9
Consensus LogP
1.72
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
N-BOC-L-leucylglycyl-arginine-p-nitroanilide hydrochloride
- CAS RN: 71730-95-5
- Product Code: starshine_CAS71730-95-5
- Purity/Analytical method: >99.0%
-
(2,4-DICHLORO-5-METHYLPHENYLTHIO)ACETIC ACID, 98
- CAS RN: 71735-21-2
- Product Code: SSC-181308
-
