[email protected]
CAS 127168-88-1 5-METHOXY-2,3-DIHYDRO-1H-ISOINDOLE molecular structure lightbox
CAS RN: 127168-88-1

5-METHOXY-2,3-DIHYDRO-1H-ISOINDOLE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260502 250mg / 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 100mg In stock Shanghai Inquiry
Batchno.20260407 1g In stock Shanghai Inquiry
Batchno.20250315 250mg In stock Shanghai Inquiry
Batchno.20260606 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS127168-88-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

127168-88-1 / 5-methoxy-2,3-dihydro-1H-isoindole

Standard CAS: 127168-88-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
127168-88-1
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
COC1=CC2=C(CNC2)C=C1
InChI
InChI=1S/C9H11NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-4,10H,5-6H2,1H3
InChIKey
BNBIUUBEQGUPJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.54
TPSA
21.26

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
0.8
Consensus LogP
1.08
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us