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CAS 911820-08-1 Thiazolo[4,5-d]pyrimidin-2-amine, 7-chloro-5-[[(1S)-1-phenylethyl]thio]- molecular structure lightbox
CAS RN: 911820-08-1

Thiazolo[4,5-d]pyrimidin-2-amine, 7-chloro-5-[[(1S)-1-phenylethyl]thio]-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS911820-08-1
  • Purity/Analytical Methods: >99.0%
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911820-08-1 / 7-chloro-5-[(1S)-1-phenylethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

Standard CAS: 911820-08-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
911820-08-1
Multi CAS
Yes
Molecular Formula
C13H11CLN4S2
Molecular Weight
322.800000
Exact Mass
322.011366
InChI
InChI=1S/C13H11ClN4S2/c1-7(8-5-3-2-4-6-8)19-13-16-10(14)9-11(18-13)17-12(15)20-9/h2-7H,1H3,(H2,15,16,17,18)/t7-/m0/s1
InChIKey
ZLBSIZVCJRBSLJ-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
85.35
TPSA
64.69

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
4.3
Consensus LogP
4.06
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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