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CAS 1446261-61-5 (R)-methyl 9-fluoro-11b-methyl-6-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-7-carboxylate molecular structure lightbox
CAS RN: 1446261-61-5

(R)-methyl 9-fluoro-11b-methyl-6-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-7-carboxylate

  • Product code: SSC-055839
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1446261-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1446261-61-5 / methyl (11bR)-9-fluoro-11b-methyl-6-oxo-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indole-7-carboxylate

Standard CAS: 1446261-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1446261-61-5
Multi CAS
No
Molecular Formula
C17H17FN2O3
Molecular Weight
316.330000
Exact Mass
316.122321
SMILES
C[C@]12CCCN1CC(=O)C3=C2NC4=CC(=CC(=C43)C(=O)OC)F
InChI
InChI=1S/C17H17FN2O3/c1-17-4-3-5-20(17)8-12(21)14-13-10(16(22)23-2)6-9(18)7-11(13)19-15(14)17/h6-7,19H,3-5,8H2,1-2H3/t17-/m1/s1
InChIKey
OFMIYWBDZBYUEY-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.41
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.09
TPSA
62.4

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.2
Consensus LogP
2.37
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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