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CAS 192705-80-9 PD-161570 molecular structure lightbox
CAS RN: 192705-80-9

PD-161570

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6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260220 100mg Out of stock Inquiry
Batchno.20260417 10mg In stock Shanghai Inquiry
Batchno.20251113 250mg Out of stock Inquiry
Batchno.20260429 25mg In stock Shanghai Inquiry
Batchno.20260406 50mg In stock Shanghai Inquiry
Batchno.20250410 5mg Out of stock 5-7 business days Inquiry
  • Product code: ICTP2531
  • Purity/Analytical Methods: >98.0%(HPLC)
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192705-80-9 / 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-[4-(diethylamino)butylamino]pyrido[2,3-d]pyrimidin-7-yl]urea

Standard CAS: 192705-80-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
192705-80-9
Multi CAS
No
Molecular Formula
C26H35Cl2N7O
Molecular Weight
532.500000
Exact Mass
531.228014
SMILES
CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=C(C=CC=C3Cl)Cl)NC(=O)NC(C)(C)C
InChI
InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
InChIKey
MKVMEJKNLUWFSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
150.21
TPSA
95.07

LogP / Solubility

WLOGP
6.45
MLOGP
5.72
XLogP3
5.8
Consensus LogP
5.99
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-8.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.39

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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