CAS RN: 220441-82-7
BENZENEMETHANAMINE, 4-BROMO-ALPHA-PHENYL-, (S)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS220441-82-7
- Purity/Analytical Methods: >99.0%
220441-82-7 / (S)-(4-bromophenyl)-phenylmethanamine
Basic Information
CAS
220441-82-7
Multi CAS
No
Molecular Formula
C13H12BrN
Molecular Weight
262.140000
Exact Mass
261.015310
SMILES
C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H12BrN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1
InChIKey
CUGXLVXNFZFUFF-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.61
TPSA
26.02
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
3.2
Consensus LogP
3.26
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-(4-Bromophenyl)(phenyl)methanamine hydrochloride
- CAS RN: 220441-84-9
- Product Code: starshine_CAS220441-84-9
- Purity/Analytical method: >99.0%
-
1H-2-Benzopyran,7-chloro-3,4-dihydro-1-(4-nitrophenyl)-
- CAS RN: 220444-99-5
- Product Code: starshine_CAS220444-99-5
- Purity/Analytical method: >99.0%
-
-
2-(7-CHLORO-5-METHYL-4-OXO-3-PHENYL-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-1-YL)-N,N-DIMETHYLACETAMIDE
- CAS RN: 220448-02-2
- Product Code: starshine_CAS220448-02-2
- Purity/Analytical method: >99.0%
-
-
(6-[2-(TRIFLUOROMETHYL)PHENYL]PYRIDIN-3-YL)METHANOL
- CAS RN: 220455-42-5
- Product Code: SSC-106050
![CAS 220448-02-2 2-(7-CHLORO-5-METHYL-4-OXO-3-PHENYL-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-1-YL)-N,N-DIMETHYLACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220448-02-2.gif)
![CAS 220455-42-5 (6-[2-(TRIFLUOROMETHYL)PHENYL]PYRIDIN-3-YL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220455-42-5.gif)