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CAS 114747-48-7 Spiro[2H-indole-2,3′-[3H]naphth[2,1-b][1,4]oxazine], 1,3-dihydro-1,3,3-triMethyl-6′-(4-Morpholinyl)- molecular structure lightbox
CAS RN: 114747-48-7

Spiro[2H-indole-2,3′-[3H]naphth[2,1-b][1,4]oxazine], 1,3-dihydro-1,3,3-triMethyl-6′-(4-Morpholinyl)-

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 100mg In stock Inquiry
Batchno.20250718 1g In stock Inquiry
Batchno.20250928 250mg In stock Inquiry
Batchno.20250822 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 10g Out of stock Inquiry
Batchno.20260316 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260427 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260214 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-014477
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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: ＞97%
  • 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 114747-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

114747-48-7 / 1',3',3'-trimethyl-6-morpholin-4-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]

1,3-Dihydro-1,3,3-trimethyl-6'-(4-morpholinyl)spiro(2H-indole-2,3'-(3H)naphth(2,1-b)(1,4)oxazine) | 1,3-Dihydro-1,3,3-trimethyl-6'-(4-morpholinyl)spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine] | RefChem:218554

Standard CAS: 114747-48-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114747-48-7
Multi CAS
Yes
Molecular Formula
C26H27N3O2
Molecular Weight
413.500000
Exact Mass
413.210327
SMILES
CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCOCC6)C)C
InChI
InChI=1S/C26H27N3O2/c1-25(2)20-10-6-7-11-21(20)28(3)26(25)17-27-24-19-9-5-4-8-18(19)22(16-23(24)31-26)29-12-14-30-15-13-29/h4-11,16-17H,12-15H2,1-3H3
InChIKey
VBGVMVBBKHCPIQ-UHFFFAOYSA-N
Synonyms
1,3-Dihydro-1,3,3-trimethyl-6'-(4-morpholinyl)spiro(2H-indole-2,3'-(3H)naphth(2,1-b)(1,4)oxazine) 1,3-Dihydro-1,3,3-trimethyl-6'-(4-morpholinyl)spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine] RefChem:218554 1,3,3-Trimethyl-6'-morpholinospiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine] MFCD00329492

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
126.36
TPSA
37.3

LogP / Solubility

WLOGP
4.9
MLOGP
4.33
XLogP3
4.8
Consensus LogP
4.68
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.77

Drug-likeness / Medicinal Chemistry

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

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