CAS RN: 2313230-51-0
PROTAC BRD4 ligand-1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260306 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-112636
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2313230-51-0 / 8-(3,5-difluoro-2-pyridinyl)-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxylic acid
Basic Information
CAS
2313230-51-0
Multi CAS
No
Molecular Formula
C23H18F2N4O5S
Molecular Weight
500.500000
Exact Mass
500.096597
SMILES
CN1C=C2C3=C(C=C(C(=C3)CS(=O)(=O)C)C(=O)O)N(CC4=CNC(=C42)C1=O)C5=C(C=C(C=N5)F)F
InChI
InChI=1S/C23H18F2N4O5S/c1-28-9-16-15-3-11(10-35(2,33)34)14(23(31)32)5-18(15)29(21-17(25)4-13(24)7-27-21)8-12-6-26-20(19(12)16)22(28)30/h3-7,9,26H,8,10H2,1-2H3,(H,31,32)
InChIKey
BSYGSSMAXOMCQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
124.48
TPSA
125.36
LogP / Solubility
WLOGP
3.1
MLOGP
2.77
XLogP3
1.2
Consensus LogP
2.36
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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