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CAS 1407180-82-8 2-chloro-6-(2-Methoxyphenyl)thieno[3,2-d]pyriMidine-4-carbonitrile molecular structure lightbox
CAS RN: 1407180-82-8

2-chloro-6-(2-Methoxyphenyl)thieno[3,2-d]pyriMidine-4-carbonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1407180-82-8
  • Purity/Analytical Methods: >99.0%
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1407180-82-8 / 2-chloro-6-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-4-carbonitrile

Standard CAS: 1407180-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1407180-82-8
Multi CAS
No
Molecular Formula
C14H8ClN3OS
Molecular Weight
301.800000
Exact Mass
301.007661
SMILES
COC1=CC=CC=C1C2=CC3=C(S2)C(=NC(=N3)Cl)C#N
InChI
InChI=1S/C14H8ClN3OS/c1-19-11-5-3-2-4-8(11)12-6-9-13(20-12)10(7-16)18-14(15)17-9/h2-6H,1H3
InChIKey
OBAXOIGFKYWFQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
79.13
TPSA
58.8

LogP / Solubility

WLOGP
3.89
MLOGP
3.44
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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)
-1.8

Drug-likeness / Medicinal Chemistry

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

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