![CAS 883976-12-3 N-(2-Aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-2-thiophenecarboxamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883976-12-3.gif)
CAS RN: 883976-12-3
N-(2-Aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-2-thiophenecarboxamide 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.20250815 | 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS883976-12-3
- Purity/Analytical Methods: >99.0%
883976-12-3 / N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide;hydrochloride
Basic Information
CAS
883976-12-3
Multi CAS
No
Molecular Formula
C22H25CLN2O3S
Molecular Weight
433.000000
Exact Mass
432.127442
InChI
InChI=1S/C22H24N2O3S.ClH/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21;/h2-10,13-14H,11-12,15-16,23H2,1H3;1H
InChIKey
FMQJBHACRTZLME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
119.13
TPSA
64.79
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
4.36
Consensus LogP
4.19
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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
Yes
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 883984-95-0 Benzyl 7′-chloro-2′-oxo-1′,2′-dihydrospiro[piperidine-4,4′-pyrido[2,3-d][1,3]oxazine]-1-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzyl 7′-chloro-2′-oxo-1′,2′-dihydrospiro[piperidine-4,4′-pyrido[2,3-d][1,3]oxazine]-1-carboxylate
- CAS RN: 883984-95-0
- Product Code: SSC-199017
-
AZD 2932
- CAS RN: 883986-34-3
- Product Code: starshine_CAS883986-34-3
- Purity/Analytical method: >99.0%
-
-
-
-
3-Fluoro-5-nitrobenzyl bromide
- CAS RN: 883987-75-5
- Product Code: starshine_CAS883987-75-5
- Purity/Analytical method: >99.0%
![CAS 883984-95-0 Benzyl 7′-chloro-2′-oxo-1′,2′-dihydrospiro[piperidine-4,4′-pyrido[2,3-d][1,3]oxazine]-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883984-95-0.gif)
