CAS RN: 64671-00-7
4-(4-BROMO-BENZOYL)-PIPERIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-174367
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
64671-00-7 / (4-bromophenyl)-piperidin-4-ylmethanone;hydrochloride
Basic Information
CAS
64671-00-7
Multi CAS
No
Molecular Formula
C12H15BRCLNO
Molecular Weight
304.610000
Exact Mass
303.002550
InChI
InChI=1S/C12H14BrNO.ClH/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2;1H
InChIKey
QNFPAHLLTDNUSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.31
TPSA
29.1
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
3.05
Consensus LogP
2.93
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
5-methyl-1H-1,2,4-triazol-s-yl)thio}-acetic acid
- CAS RN: 64679-65-8
- Product Code: SSC-174369
-
(3R)-3-[(E)-2-methylbut-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate
- CAS RN: 64681-36-3
- Product Code: starshine_CAS64681-36-3
- Purity/Analytical method: >99.0%
-
-
-
2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4,4-dimethyloxazole
- CAS RN: 64691-33-4
- Product Code: starshine_CAS64691-33-4
- Purity/Analytical method: >99.0%
-
N-(3-Chloro-4-Methylphenyl)-2,2,2-trifluoroacetaMide
- CAS RN: 64694-83-3
- Product Code: SSC-174378
![CAS 64681-36-3 (3R)-3-[(E)-2-methylbut-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64681-36-3.gif)
![CAS 64691-33-4 2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4,4-dimethyloxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64691-33-4.gif)
