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CAS 213462-19-2 4-(4-METHOXYPHENYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE molecular structure lightbox
CAS RN: 213462-19-2

4-(4-METHOXYPHENYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS213462-19-2
  • Purity/Analytical Methods: >99.0%
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213462-19-2 / 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Standard CAS: 213462-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213462-19-2
Multi CAS
No
Molecular Formula
C14H15NOS
Molecular Weight
245.340000
Exact Mass
245.087435
SMILES
COC1=CC=C(C=C1)C2C3=C(CCN2)SC=C3
InChI
InChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3
InChIKey
YZMKEDMYYJQGRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.86
TPSA
21.26

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.7
Consensus LogP
2.78
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

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

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