![CAS 71636-38-9 N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71636-38-9.gif)
CAS RN: 71636-38-9
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS71636-38-9
- Purity/Analytical Methods: >99.0%
71636-38-9 / 2-[2-(2-chloro-3,4-dimethoxyphenyl)ethylamino]-1-(4-methoxyphenyl)ethanol
Basic Information
CAS
71636-38-9
Multi CAS
No
Molecular Formula
C19H24CLNO4
Molecular Weight
365.800000
Exact Mass
365.139386
InChI
InChI=1S/C19H24ClNO4/c1-23-15-7-4-13(5-8-15)16(22)12-21-11-10-14-6-9-17(24-2)19(25-3)18(14)20/h4-9,16,21-22H,10-12H2,1-3H3
InChIKey
PQRXADLRQKVLHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.08
TPSA
59.95
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
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
