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CAS 2621932-23-6 Pyrido[4,3-d]pyrimidine, 2,7-dichloro-8-fluoro-4-(2,2,2-trifluoroethoxy)- molecular structure lightbox
CAS RN: 2621932-23-6

Pyrido[4,3-d]pyrimidine, 2,7-dichloro-8-fluoro-4-(2,2,2-trifluoroethoxy)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2621932-23-6
  • Purity/Analytical Methods: >99.0%
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2621932-23-6 / 2,7-dichloro-8-fluoro-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

Standard CAS: 2621932-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2621932-23-6
Multi CAS
No
Molecular Formula
C9H3Cl2F4N3O
Molecular Weight
316.040000
Exact Mass
314.958930
InChI
InChI=1S/C9H3Cl2F4N3O/c10-6-4(12)5-3(1-16-6)7(18-8(11)17-5)19-2-9(13,14)15/h1H,2H2
InChIKey
IPSLSJQBIFSDHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.86
TPSA
47.9

LogP / Solubility

WLOGP
3.41
MLOGP
3.02
XLogP3
3.9
Consensus LogP
3.44
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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