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CAS 388082-81-3 GW583340 DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 388082-81-3

GW583340 DIHYDROCHLORIDE

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251225 1mg Out of stock Inquiry
Batchno.20250420 5mg Out of stock Inquiry
  • Product code: starshine_CAS388082-81-3
  • Purity/Analytical Methods: >99.0%
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388082-81-3 / N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine

Standard CAS: 388082-81-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
388082-81-3
Multi CAS
Yes
Molecular Formula
C28H25CLFN5O3S2
Molecular Weight
598.100000
Exact Mass
597.107138
InChI
InChI=1S/C28H25ClFN5O3S2/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34)
InChIKey
MNNXRVSQOABRRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
27
Fraction Csp3
0.18
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
2
Molar refractivity
157.53
TPSA
106.1

LogP / Solubility

WLOGP
6
MLOGP
5.33
XLogP3
5.1
Consensus LogP
5.48
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.85
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)
-2.11

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
5

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