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CAS 1799711-21-9 dBET1 molecular structure lightbox
CAS RN: 1799711-21-9

dBET1

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15 package records15 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100mg In stock Inquiry
Batchno.20250308 10mg In stock Inquiry
Batchno.20260101 1mg In stock Inquiry
Batchno.20250607 25mg In stock Inquiry
Batchno.20250911 2mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batchno.20250817 50mg In stock Inquiry
Batchno.20260421 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251008 100mg In stock Shanghai Inquiry
Batchno.20250926 10mg In stock Shanghai Inquiry
Batchno.20251002 1g In stock Shanghai Inquiry
Batchno.20251001 1mg In stock Shanghai Inquiry
Batchno.20260528 250mg In stock Shanghai Inquiry
Batchno.20260103 25mg In stock Shanghai Inquiry
Batchno.20250223 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260323 5mg In stock Shanghai Inquiry
  • Product code: SSC-080331
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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 1799711-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry

1799711-21-9 / 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-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide

Standard CAS: 1799711-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799711-21-9
Multi CAS
No
Molecular Formula
C38H37ClN8O7S
Molecular Weight
785.300000
Exact Mass
784.219444
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
InChI
InChI=1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50)(H,43,48,51)/t25-,26?/m0/s1
InChIKey
LKEGXJXRNBALBV-PMCHYTPCSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
22
Fraction Csp3
0.34
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
3
Molar refractivity
201.76
TPSA
194.05

LogP / Solubility

WLOGP
3.68
MLOGP
3.31
XLogP3
3.2
Consensus LogP
3.4
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
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)
-4.9

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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