CAS RN: 301847-37-0
Org41841
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS301847-37-0
- Purity/Analytical Methods: >99.0%
301847-37-0 / 5-amino-N-tert-butyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
Basic Information
CAS
301847-37-0
Multi CAS
No
Molecular Formula
C19H22N4O2S2
Molecular Weight
402.500000
Exact Mass
402.118418
InChI
InChI=1S/C19H22N4O2S2/c1-19(2,3)23-16(24)15-13(20)12-14(10-7-6-8-11(9-10)25-4)21-18(26-5)22-17(12)27-15/h6-9H,20H2,1-5H3,(H,23,24)
InChIKey
DVSFSADBOJYPGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
112.82
TPSA
90.13
LogP / Solubility
WLOGP
4.2
MLOGP
3.72
XLogP3
4.5
Consensus LogP
4.14
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
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)
-2.19
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
-
3-(TetraMethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-one
- CAS RN: 302577-72-6
- Product Code: SSC-134086
-
Ethyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) propionate
- CAS RN: 302577-73-7
- Product Code: SSC-134087
-
(11aR)-1,11-Bis(diphenylphosphino)dibenzo[d,f][1,3]dioxepine
- CAS RN: 301847-87-0
- Product Code: SSC-133917
-
-
Phosphine, [(16aR)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecin-1,16-diyl]bis[diphenyl- (9CI)
- CAS RN: 301847-92-7
- Product Code: starshine_CAS301847-92-7
- Purity/Analytical method: >99.0%
-
5-CHLORO-2-(2-CHLORO-ACETYLAMINO)-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 302582-89-4
- Product Code: SSC-134089
![CAS 302577-73-7 Ethyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) propionate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/302577-73-7.gif)
![CAS 301847-87-0 (11aR)-1,11-Bis(diphenylphosphino)dibenzo[d,f][1,3]dioxepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/301847-87-0.gif)
![CAS 301847-92-7 Phosphine, [(16aR)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecin-1,16-diyl]bis[diphenyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/301847-92-7.gif)
.gif)