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CAS 1958113-34-2 9H-Carbazole, 3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure lightbox
CAS RN: 1958113-34-2

9H-Carbazole, 3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-092596
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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: 5g
  • 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 1958113-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1958113-34-2 / 3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Standard CAS: 1958113-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1958113-34-2
Multi CAS
No
Molecular Formula
C24H31B2NO4
Molecular Weight
419.100000
Exact Mass
419.243919
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC4=C3C=C(C=C4)B5OC(C(O5)(C)C)(C)C
InChI
InChI=1S/C24H31B2NO4/c1-21(2)22(3,4)29-25(28-21)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-30-23(5,6)24(7,8)31-26/h9-14,27H,1-8H3
InChIKey
RGMDTVRDTDVVMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
127.24
TPSA
52.71

LogP / Solubility

WLOGP
3.92
MLOGP
3.48
XLogP3
3.92
Consensus LogP
3.77
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

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)
-2.49

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
3.5

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