CAS RN: 1257044-40-8
ABT-199
Product Availability
Choose a grade to view its available package options.
10 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260430 | 100mg | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20260212 | 1g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry | |
| Batchno.20260119 | 25g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250930 | 25mg | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry | |
| Batchno.20250126 | 5g | In stock | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-030932
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >98%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 4 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 2 In Stock | Beijing | Inquiry |
| 25g | >98% | 2 In Stock | Shenzhen | Inquiry |
1257044-40-8 / 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Basic Information
CAS
1257044-40-8
Multi CAS
No
Molecular Formula
C45H50ClN7O7S
Molecular Weight
868.400000
Exact Mass
867.318096
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C
InChI
InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
InChIKey
LQBVNQSMGBZMKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
27
Fraction Csp3
0.38
Rotatable bonds
13
H-bond acceptors
11
H-bond donors
3
Molar refractivity
237.05
TPSA
172.03
LogP / Solubility
WLOGP
8.66
MLOGP
7.7
XLogP3
8.2
Consensus LogP
8.19
Log S (ESOL)
-10.15
Class (ESOL)
Insoluble
Log S (Ali)
-12.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.05
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)
-1.87
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
6.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (90%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (93.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H334 (88.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501
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