CAS RN: 1138220-79-7
1H-Isoindol-1-one, 5-chloro-2,3-dihydro-6-Methoxy-
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.20250612 | 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1138220-79-7
- Purity/Analytical Methods: >99.0%
1138220-79-7 / 5-chloro-6-methoxy-2,3-dihydroisoindol-1-one
5-Chloro-2,3-dihydro-6-methoxy-1h-isoindol-1-one | 1h-isoindol-1-one,5-chloro-2,3-dihydro-6-methoxy- | 5-CHLORO-6-METHOXY-2,3-DIHYDROISOINDOL-1-ONE
Basic Information
CAS
1138220-79-7
Multi CAS
No
Molecular Formula
C9H8ClNO2
Molecular Weight
197.620000
Exact Mass
197.024356
SMILES
COC1=C(C=C2CNC(=O)C2=C1)Cl
InChI
InChI=1S/C9H8ClNO2/c1-13-8-3-6-5(2-7(8)10)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
MMBRLXRMVPEDCW-UHFFFAOYSA-N
Synonyms
5-Chloro-2,3-dihydro-6-methoxy-1h-isoindol-1-one
1h-isoindol-1-one,5-chloro-2,3-dihydro-6-methoxy-
5-CHLORO-6-METHOXY-2,3-DIHYDROISOINDOL-1-ONE
SCHEMBL17339018
DB-382390
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.17
TPSA
38.33
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Cbz-(R)-2-(aminomethyl)-3-methylbutanoic acid
- CAS RN: 1138323-75-7
- Product Code: SSC-013817
-
tert-butyl (2S,4R)-2-(aMinoMethyl)-4-fluoro-1-pyrrolidinecarboxylate
- CAS RN: 1138324-46-5
- Product Code: SSC-013818
-
(2S,4R)-1-(tert-Butoxycarbonyl)-4-fluoro-2-hydroxyMethylpyrrolidine
- CAS RN: 1138324-48-7
- Product Code: SSC-013819
-
