![CAS 339016-33-0 2-[1-(3-CHLOROBENZYL)-1H-INDOL-3-YL]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/339016-33-0.gif)
CAS RN: 339016-33-0
2-[1-(3-CHLOROBENZYL)-1H-INDOL-3-YL]ACETIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS339016-33-0
- Purity/Analytical Methods: >99.0%
339016-33-0 / 2-[1-[(3-chlorophenyl)methyl]indol-3-yl]acetic acid
Basic Information
CAS
339016-33-0
Multi CAS
No
Molecular Formula
C17H14CLNO2
Molecular Weight
299.700000
Exact Mass
299.071306
InChI
InChI=1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21)
InChIKey
BMZCMTIGPMYJKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.83
TPSA
42.23
LogP / Solubility
WLOGP
3.97
MLOGP
3.51
XLogP3
3.7
Consensus LogP
3.73
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
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
-
(2-CHLORO-1,3-THIAZOL-5-YL)METHYL PHENYL ETHER
- CAS RN: 339018-23-4
- Product Code: starshine_CAS339018-23-4
- Purity/Analytical method: >99.0%
-
Methyl 3-(4-bromophenyl)-2-hydroxypropanoate
- CAS RN: 339048-81-6
- Product Code: SSC-140094
-
-
Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-7,7-dimethyl- (9CI)
- CAS RN: 339055-35-5
- Product Code: SSC-140096
-
-
(E)-N-(3-chloro-4-Morpholinophenyl)-N’-hydroxyforMiMidaMide
- CAS RN: 339071-18-0
- Product Code: starshine_CAS339071-18-0
- Purity/Analytical method: >99.0%
.gif)
![CAS 339055-35-5 Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-7,7-dimethyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/339055-35-5.gif)
