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CAS 24237-54-5 Tinoridine molecular structure lightbox
CAS RN: 24237-54-5

Tinoridine

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 1g In stock Inquiry
Batchno.20260306 25g In stock Inquiry
Batchno.20260122 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24237-54-5
  • Purity/Analytical Methods: >99.0%
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24237-54-5 / ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Standard CAS: 24237-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24237-54-5
Multi CAS
No
Molecular Formula
C17H20N2O2S
Molecular Weight
316.400000
Exact Mass
316.124549
SMILES
CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3
InChIKey
PFENFDGYVLAFBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.95
TPSA
55.56

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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