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CAS 633283-39-3 3-AMINO-N-[(4-CHLOROPHENYL)METHYL]-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE molecular structure lightbox
CAS RN: 633283-39-3

3-AMINO-N-[(4-CHLOROPHENYL)METHYL]-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 5mg / 10mg / 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS633283-39-3
  • Purity/Analytical Methods: >99.0%
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633283-39-3 / 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

Standard CAS: 633283-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
633283-39-3
Multi CAS
No
Molecular Formula
C17H16CLN3OS
Molecular Weight
345.800000
Exact Mass
345.070261
InChI
InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
InChIKey
FPRULFHDSFKYBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
96.13
TPSA
68.01

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
4.6
Consensus LogP
4.1
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
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)
-1.93

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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