CAS RN: 1418308-27-6
EI1
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
- Product code: starshine_CAS1418308-27-6
- Purity/Analytical Methods: >99.0%
1418308-27-6 / 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide
Basic Information
CAS
1418308-27-6
Multi CAS
No
Molecular Formula
C23H26N4O2
Molecular Weight
390.500000
Exact Mass
390.205576
SMILES
CCC(CC)N1C=CC2=C(C=C(C=C21)C#N)C(=O)NCC3=C(C=C(NC3=O)C)C
InChI
InChI=1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKey
PFHDWRIVDDIFRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.98
TPSA
90.68
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
3.4
Consensus LogP
3.72
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
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)
-2.18
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
-
-
(S)-SpiroPAP-Me-Ir
- CAS RN: 1418483-59-6
- Product Code: starshine_CAS1418483-59-6
- Purity/Analytical method: >99.0%
-
Azide-PEG7-Tos
- CAS RN: 1418561-41-7
- Product Code: starshine_CAS1418561-41-7
- Purity/Analytical method: >99.0%
-
Boronic acid, B-[4-(difluoromethyl)-3,5-difluorophenyl]-
- CAS RN: 1418595-79-5
- Product Code: SSC-052559
-
UNC 1079
- CAS RN: 1418741-86-2
- Product Code: starshine_CAS1418741-86-2
- Purity/Analytical method: >99.0%
-
1-Azetidinecarboxylic acid, 3-[(3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-, 1,1-dimethylethyl ester
- CAS RN: 1418747-15-5
- Product Code: starshine_CAS1418747-15-5
- Purity/Analytical method: >99.0%
![CAS 1418595-79-5 Boronic acid, B-[4-(difluoromethyl)-3,5-difluorophenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1418595-79-5.gif)
![CAS 1418747-15-5 1-Azetidinecarboxylic acid, 3-[(3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1418747-15-5.gif)