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CAS 2070015-26-6 SRT3025 Hydrochloride molecular structure lightbox
CAS RN: 2070015-26-6

SRT3025 Hydrochloride

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 25mg In stock Shanghai Inquiry
Batchno.20250910 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2070015-26-6
  • Purity/Analytical Methods: >99.0%
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2070015-26-6 / 5-(3-methoxypropyl)-2-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

Standard CAS: 2070015-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2070015-26-6
Multi CAS
No
Molecular Formula
C31H32ClN5O2S2
Molecular Weight
606.200000
Exact Mass
605.168595
SMILES
COCCCC1=C(N=C(S1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C4=NC5=C(S4)N=CC(=C5)CN6CCCC6.Cl
InChI
InChI=1S/C31H31N5O2S2.ClH/c1-38-17-9-14-26-27(35-29(39-26)22-10-3-2-4-11-22)28(37)33-24-13-6-5-12-23(24)30-34-25-18-21(19-32-31(25)40-30)20-36-15-7-8-16-36;/h2-6,10-13,18-19H,7-9,14-17,20H2,1H3,(H,33,37);1H
InChIKey
LGRBDTOIPNDWMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
26
Fraction Csp3
0.29
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
1
Molar refractivity
170.31
TPSA
80.24

LogP / Solubility

WLOGP
7.33
MLOGP
6.5
XLogP3
7.33
Consensus LogP
7.05
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-9.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.88
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)
-1.21

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
5.5

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