CAS RN: 16053-59-1
(R)-PhenoxybenzaMine Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS16053-59-1
- Purity/Analytical Methods: >99.0%
16053-59-1 / (2R)-N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride
Basic Information
CAS
16053-59-1
Multi CAS
No
Molecular Formula
C18H23Cl2NO
Molecular Weight
340.300000
Exact Mass
339.115670
SMILES
C[C@H](COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
InChI
InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H/t16-;/m1./s1
InChIKey
VBCPVIWPDJVHAN-PKLMIRHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
96.22
TPSA
12.47
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
4.62
Consensus LogP
4.44
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
DIETHYLENE GLYCOL MONOOCTADECYL ETHER*
- CAS RN: 16057-43-5
- Product Code: starshine_CAS16057-43-5
- Purity/Analytical method: >99.0%
-
2-Naphthalenecarboxylic acid, 4-hydroxy-8-Methyl-, Methyl ester
- CAS RN: 16059-74-8
- Product Code: SSC-068465
-
-
4-guanidinobenzoate
- CAS RN: 16060-65-4
- Product Code: starshine_CAS16060-65-4
- Purity/Analytical method: >99.0%
-
