[email protected]
CAS 1779447-03-8 methyl 6-fluoroindoline-2-carboxylate molecular structure lightbox
CAS RN: 1779447-03-8

methyl 6-fluoroindoline-2-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1779447-03-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1779447-03-8 / methyl 6-fluoro-2,3-dihydro-1H-indole-2-carboxylate

Standard CAS: 1779447-03-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1779447-03-8
Multi CAS
No
Molecular Formula
C10H10FNO2
Molecular Weight
195.190000
Exact Mass
195.069557
SMILES
COC(=O)C1CC2=C(N1)C=C(C=C2)F
InChI
InChI=1S/C10H10FNO2/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9/h2-3,5,9,12H,4H2,1H3
InChIKey
TVVUNKCOKJKNIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.53
TPSA
38.33

LogP / Solubility

WLOGP
1.34
MLOGP
1.17
XLogP3
2
Consensus LogP
1.5
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us