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CAS 144582-55-8 Spiro[2H-indole-2,3′-[3H]naphth[2,1-b][1,4]oxazine], 5-chloro-1,3-dihydro-1,3,3-trimethyl-6′-(1-piperidinyl)- molecular structure lightbox
CAS RN: 144582-55-8

Spiro[2H-indole-2,3′-[3H]naphth[2,1-b][1,4]oxazine], 5-chloro-1,3-dihydro-1,3,3-trimethyl-6′-(1-piperidinyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS144582-55-8
  • Purity/Analytical Methods: >99.0%
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144582-55-8 / 5'-chloro-1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]

Standard CAS: 144582-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144582-55-8
Multi CAS
No
Molecular Formula
C27H28ClN3O
Molecular Weight
446.000000
Exact Mass
445.192090
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCCCC6)C)C
InChI
InChI=1S/C27H28ClN3O/c1-26(2)21-15-18(28)11-12-22(21)30(3)27(26)17-29-25-20-10-6-5-9-19(20)23(16-24(25)32-27)31-13-7-4-8-14-31/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3
InChIKey
GYUZHNKXZJGPSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.37
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
134.4
TPSA
28.07

LogP / Solubility

WLOGP
6.7
MLOGP
5.93
XLogP3
6.7
Consensus LogP
6.44
Log S (ESOL)
-7.13
Class (ESOL)
Insoluble
Log S (Ali)
-8.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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