CAS RN: 864756-35-4
TC-MCH 7c
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS864756-35-4
- Purity/Analytical Methods: >99.0%
864756-35-4 / 4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
Basic Information
CAS
864756-35-4
Multi CAS
No
Molecular Formula
C24FH25N2O3
Molecular Weight
408.500000
Exact Mass
408.184921
InChI
InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
InChIKey
ANCFKYJMXNMYNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
113.94
TPSA
43.7
LogP / Solubility
WLOGP
4.03
MLOGP
3.57
XLogP3
3.7
Consensus LogP
3.77
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
3,4-DIFLUORO-5-(TRIFLUOROMETHYL)-PHENYLBORONIC ACID
- CAS RN: 864759-64-8
- Product Code: SSC-195567
-
3-METHYL-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID
- CAS RN: 864759-67-1
- Product Code: SSC-195568
-
3-FLUORO-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID
- CAS RN: 864759-68-2
- Product Code: SSC-195569
-
(6′-Methyl-8′-oxo-3′,4′-dihydro-8’H-spiro[cyclohex ane-1,2′-pyrano[3,2-g]chromen]-7′-yl)acetic acid
- CAS RN: 864763-36-0
- Product Code: starshine_CAS864763-36-0
- Purity/Analytical method: >99.0%
-
1-N-Boc-3-methyl-indazole-5-boronic acid pinacol ester
- CAS RN: 864770-82-1
- Product Code: SSC-195572
![CAS 864763-36-0 (6′-Methyl-8′-oxo-3′,4′-dihydro-8’H-spiro[cyclohex ane-1,2′-pyrano[3,2-g]chromen]-7′-yl)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12555815.gif)
