![CAS 1030017-51-6 9-[(4-chlorophenyl)thio]-6-fluoro-2,3-dihydro-1H-Pyrrolo[1,2-a]indole-1-acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1030017-51-6.gif)
CAS RN: 1030017-51-6
9-[(4-chlorophenyl)thio]-6-fluoro-2,3-dihydro-1H-Pyrrolo[1,2-a]indole-1-acetic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250918 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1030017-51-6
- Purity/Analytical Methods: >99.0%
1030017-51-6 / 2-[4-(4-chlorophenyl)sulfanyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
RefChem:151787 | (9-((4-chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo(1,2-a)indol-1-yl)acetic acid | 2-(9-((4-Chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid
Basic Information
CAS
1030017-51-6
Multi CAS
No
Molecular Formula
C19H15ClFNO2S
Molecular Weight
375.800000
Exact Mass
375.049606
SMILES
C1CN2C3=C(C=CC(=C3)F)C(=C2C1CC(=O)O)SC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)
InChIKey
GSBAVONRPNJJOH-UHFFFAOYSA-N
Synonyms
RefChem:151787
(9-((4-chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo(1,2-a)indol-1-yl)acetic acid
2-(9-((4-Chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid
L 888607 Racemate
L 888607 (Racemate)
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.08
TPSA
42.23
LogP / Solubility
WLOGP
5.55
MLOGP
4.9
XLogP3
4.4
Consensus LogP
4.95
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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