CAS RN: 1034297-58-9
CRT5
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250613 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1034297-58-9
- Purity/Analytical Methods: >99.0%
1034297-58-9 / 3-[6-amino-5-(6-ethoxynaphthalen-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CRT5 | 3-[6-amino-5-(6-ethoxynaphthalen-2-yl)pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide | CRT5 (CRT0066051)
Basic Information
CAS
1034297-58-9
Multi CAS
Yes
Molecular Formula
C28H30N4O2
Molecular Weight
454.600000
Exact Mass
454.236876
SMILES
CCOC1=CC2=C(C=C1)C=C(C=C2)C3=C(N=CC(=C3)C4=CC(=CC=C4)C(=O)NCCN(C)C)N
InChI
InChI=1S/C28H30N4O2/c1-4-34-25-11-10-20-14-22(9-8-21(20)16-25)26-17-24(18-31-27(26)29)19-6-5-7-23(15-19)28(33)30-12-13-32(2)3/h5-11,14-18H,4,12-13H2,1-3H3,(H2,29,31)(H,30,33)
InChIKey
XBDRAUPLGHAFCU-UHFFFAOYSA-N
Synonyms
CRT5
3-[6-amino-5-(6-ethoxynaphthalen-2-yl)pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
CRT5 (CRT0066051)
CHEMBL5419827
3-[6-Amino-5-(6-ethoxy-2-naphthalenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]-benzamide
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
139.08
TPSA
80.48
LogP / Solubility
WLOGP
4.84
MLOGP
4.29
XLogP3
4.7
Consensus LogP
4.61
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
6-METHOXYPYRIDINE-2-BORONIC ACID PINACOL ESTER
- CAS RN: 1034297-69-2
- Product Code: SSC-004959
-
Benzo[b]thiophene-2-Methanol, α-(5-broMo-2-fluorophenyl)-
- CAS RN: 1034305-11-7
- Product Code: SSC-004962
-
Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]-
- CAS RN: 1034305-17-3
- Product Code: SSC-004963
-
Methyl 1-C-[3-(benzo[b]thien-2-ylMethyl)-4-fluorophenyl]-
- CAS RN: 1034305-23-1
- Product Code: starshine_CAS1034305-23-1
- Purity/Analytical method: >99.0%
-
2-Bromo-6-fluoro-4-trifluoromethyl-phenylamine
- CAS RN: 1034325-63-7
- Product Code: SSC-004964
-
1-vinyl-3-ethyliMidazoliuM hexafluorophosphate
- CAS RN: 1034364-43-6
- Product Code: SSC-004969
![CAS 1034305-11-7 Benzo[b]thiophene-2-Methanol, α-(5-broMo-2-fluorophenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034305-11-7.gif)
![CAS 1034305-17-3 Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034305-17-3.gif)
![CAS 1034305-23-1 Methyl 1-C-[3-(benzo[b]thien-2-ylMethyl)-4-fluorophenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034305-23-1.gif)
