![CAS 2254706-21-1 Ethanone, 1-[2-[4-(2,4-difluorophenoxy)-1-piperidinyl]-7,8-dihydro-3-[[(3R)-tetrahydro-3-furanyl]amino]pyrido[3,4-b]pyrazin-6(5H)-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2254706-21-1.gif)
CAS RN: 2254706-21-1
Ethanone, 1-[2-[4-(2,4-difluorophenoxy)-1-piperidinyl]-7,8-dihydro-3-[[(3R)-tetrahydro-3-furanyl]amino]pyrido[3,4-b]pyrazin-6(5H)-yl]-
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS2254706-21-1
- Purity/Analytical Methods: >99.0%
2254706-21-1 / 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxolan-3-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Basic Information
CAS
2254706-21-1
Multi CAS
No
Molecular Formula
C24H29F2N5O3
Molecular Weight
473.500000
Exact Mass
473.223846
SMILES
CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCC(CC3)OC4=C(C=C(C=C4)F)F)NC5CCOC5
InChI
InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1
InChIKey
HSWVJQBEXRKOBZ-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
121.89
TPSA
79.82
LogP / Solubility
WLOGP
2.91
MLOGP
2.59
XLogP3
2.4
Consensus LogP
2.63
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble
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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-propoxypropanoic acid
- CAS RN: 2255321-09-4
- Product Code: SSC-110314
-
N-（(9H-fluoren-9-ylmethoxy)carbonyl）-O-(3-methylbutyl)-L-S
- CAS RN: 2255321-11-8
- Product Code: SSC-110315
-
-
N2-（(9H-fluoren-9-ylmethoxy)carbonyl）-N,N,N2-trimethyl-L-G
- CAS RN: 2255321-26-5
- Product Code: starshine_CAS2255321-26-5
- Purity/Analytical method: >99.0%
-
(2S)-4-ethoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid
- CAS RN: 2255321-30-1
- Product Code: SSC-110317
-
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-hydroxy-2-methylpropoxy)propanoic acid
- CAS RN: 2255321-44-7
- Product Code: SSC-110318
![CAS 2255321-30-1 (2S)-4-ethoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2255321-30-1.gif)
![CAS 2255321-44-7 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-hydroxy-2-methylpropoxy)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2255321-44-7.gif)