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CAS 1012884-46-6 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one molecular structure lightbox
CAS RN: 1012884-46-6

11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1g In stock Inquiry
Batchno.20250515 25g In stock Inquiry
Batchno.20250615 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 1g In stock Shanghai Inquiry
Batchno.20260319 25g In stock Shanghai Inquiry
Batchno.20260403 5g In stock Shanghai Inquiry
  • Product code: SSC-002134
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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: 25g
  • 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 1012884-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

1012884-46-6 / 17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaen-3-one

11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one | 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one | DTXSID20438689

Standard CAS: 1012884-46-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1012884-46-6
Multi CAS
No
Molecular Formula
C17H12ClNO2
Molecular Weight
297.700000
Exact Mass
297.055656
SMILES
CN1CC2=C(C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
InChI
InChI=1S/C17H12ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8H,9H2,1H3
InChIKey
KXKUDCTZEMWVDQ-UHFFFAOYSA-N
Synonyms
11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one DTXSID20438689 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrol-1-one 11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo(2,3:6,7)oxepino(4,5-c)pyrrol-1-one

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
82.42
TPSA
29.54

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
2.9
Consensus LogP
3.37
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 38 of 40 companies (only 5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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