CAS RN: 52651-15-7
6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS52651-15-7
- Purity/Analytical Methods: >99.0%
52651-15-7 / 6-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
Basic Information
CAS
52651-15-7
Multi CAS
No
Molecular Formula
C10H9CLO2
Molecular Weight
196.630000
Exact Mass
196.029107
InChI
InChI=1S/C10H9ClO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChIKey
XMJXQAGIYOQVSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.15
TPSA
37.3
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
6-BROMO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
- CAS RN: 52651-16-8
- Product Code: SSC-159764
-
Bis(ethylene)2,4-pentanedianatoIridium(I)
- CAS RN: 52654-27-0
- Product Code: starshine_CAS52654-27-0
- Purity/Analytical method: >99.0%
-
PENTABROMOPHENYL ACRYLATE
- CAS RN: 52660-82-9
- Product Code: starshine_CAS52660-82-9
- Purity/Analytical method: >99.0%
-
-
CYCLO(-GLY-SER)
- CAS RN: 52661-98-0
- Product Code: starshine_CAS52661-98-0
- Purity/Analytical method: >99.0%
-
