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CAS 1035631-57-2 9-Phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure lightbox
CAS RN: 1035631-57-2

9-Phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Product Availability

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8 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260416 1g In stock Inquiry
Batchno.20260530 250mg In stock Inquiry
Batchno.20250113 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260402 1g Out of stock 5-7 business days Inquiry
Batchno.20260602 200mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 1g Out of stock Inquiry
Batchno.20250809 250mg Out of stock Inquiry
Batchno.20250917 50mg Out of stock Inquiry
  • Product code: SSC-005139
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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 1035631-57-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1035631-57-2 / 9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole | RefChem:549882 | 833-834-6

Standard CAS: 1035631-57-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1035631-57-2
Multi CAS
No
Molecular Formula
C30H35B2NO4
Molecular Weight
495.200000
Exact Mass
495.275219
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC=C5)C=C(C=C4)B6OC(C(O6)(C)C)(C)C
InChI
InChI=1S/C30H35B2NO4/c1-27(2)28(3,4)35-31(34-27)20-14-16-23-24-17-15-21(32-36-29(5,6)30(7,8)37-32)19-26(24)33(25(23)18-20)22-12-10-9-11-13-22/h9-19H,1-8H3
InChIKey
BLKLIQJTGNDTOL-UHFFFAOYSA-N
Synonyms
9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole RefChem:549882 833-834-6 MFCD31618151 9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
19
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
152.21
TPSA
41.85

LogP / Solubility

WLOGP
5.38
MLOGP
4.77
XLogP3
5.38
Consensus LogP
5.18
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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