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CAS 1950634-92-0 dBET6 molecular structure lightbox
CAS RN: 1950634-92-0

dBET6

Product Availability

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7 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260322 100mg Out of stock Inquiry
Batchno.20250425 1mg In stock Shanghai Inquiry
Batchno.20250412 250mg Out of stock Inquiry
Batchno.20251128 25mg Out of stock Inquiry
Batchno.20251201 50mg Out of stock Inquiry
Batchno.20251114 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251213 5mg / 10mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
  • Product code: SSC-091984
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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: 0.1g
  • 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 1950634-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

1950634-92-0 / 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]acetamide

Standard CAS: 1950634-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1950634-92-0
Multi CAS
No
Molecular Formula
C42H45ClN8O7S
Molecular Weight
841.400000
Exact Mass
840.282045
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
InChI
InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1
InChIKey
JGQPZPLJOBHHBK-UFXYQILXSA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Aromatic heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
16
H-bond acceptors
12
H-bond donors
3
Molar refractivity
220.23
TPSA
194.05

LogP / Solubility

WLOGP
5.24
MLOGP
4.69
XLogP3
5
Consensus LogP
4.98
Log S (ESOL)
-7.58
Class (ESOL)
Insoluble
Log S (Ali)
-10.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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