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CAS 1643935-09-4 9,9-Dimethyl-10-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-9,10-dihydro-acridine molecular structure lightbox
CAS RN: 1643935-09-4

9,9-Dimethyl-10-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-9,10-dihydro-acridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-071819
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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 1643935-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1643935-09-4 / 9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine

Standard CAS: 1643935-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1643935-09-4
Multi CAS
No
Molecular Formula
C27H30BNO2
Molecular Weight
411.300000
Exact Mass
411.236959
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C4=CC=CC=C4C(C5=CC=CC=C53)(C)C
InChI
InChI=1S/C27H30BNO2/c1-25(2)21-11-7-9-13-23(21)29(24-14-10-8-12-22(24)25)20-17-15-19(16-18-20)28-30-26(3,4)27(5,6)31-28/h7-18H,1-6H3
InChIKey
ITBBSQIVFBCCRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
128.97
TPSA
21.7

LogP / Solubility

WLOGP
6.09
MLOGP
5.39
XLogP3
6.09
Consensus LogP
5.86
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
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)
-0.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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