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CAS 2375541-45-8 tert-butyl 2-(4-isopropoxybenzamido)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate molecular structure lightbox
CAS RN: 2375541-45-8

tert-butyl 2-(4-isopropoxybenzamido)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 25mg / 100mg Out of stock 15 business days Inquiry
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Batchno.20250113 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260205 250mg In stock Shanghai Inquiry
Batchno.20260701 25mg In stock Shanghai Inquiry
Batchno.20260315 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS2375541-45-8
  • Purity/Analytical Methods: >99.0%
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2375541-45-8 / tert-butyl 2-[(4-propan-2-yloxybenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Standard CAS: 2375541-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2375541-45-8
Multi CAS
No
Molecular Formula
C21H27N3O4S
Molecular Weight
417.500000
Exact Mass
417.172228
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H27N3O4S/c1-13(2)27-15-8-6-14(7-9-15)18(25)23-19-22-16-10-11-24(12-17(16)29-19)20(26)28-21(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,22,23,25)
InChIKey
PNSFNXURLSDVRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
11
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
112.62
TPSA
80.76

LogP / Solubility

WLOGP
4.48
MLOGP
3.96
XLogP3
3.7
Consensus LogP
4.05
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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