![CAS 781628-99-7 Benzamide, 3-methoxy-N-[4-(4-methoxyphenyl)-2-thiazolyl]-4-[2-(4-morpholinyl)-2-oxoethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/781628-99-7.gif)
CAS RN: 781628-99-7
Benzamide, 3-methoxy-N-[4-(4-methoxyphenyl)-2-thiazolyl]-4-[2-(4-morpholinyl)-2-oxoethoxy]-
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5 package records4 with current stock1 grade group
- Product code: starshine_CAS781628-99-7
- Purity/Analytical Methods: >99.0%
781628-99-7 / 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
Basic Information
CAS
781628-99-7
Multi CAS
No
Molecular Formula
C24H25N3O6S
Molecular Weight
483.500000
Exact Mass
483.146407
InChI
InChI=1S/C24H25N3O6S/c1-30-18-6-3-16(4-7-18)19-15-34-24(25-19)26-23(29)17-5-8-20(21(13-17)31-2)33-14-22(28)27-9-11-32-12-10-27/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29)
InChIKey
SJPVXFZDWAIFFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
127.94
TPSA
99.22
LogP / Solubility
WLOGP
3.32
MLOGP
2.95
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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