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CAS 690702-08-0 3-(6-ETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-PROPIONIC ACID molecular structure lightbox
CAS RN: 690702-08-0

3-(6-ETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-PROPIONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS690702-08-0
  • Purity/Analytical Methods: >99.0%
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690702-08-0 / 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

Standard CAS: 690702-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
690702-08-0
Multi CAS
No
Molecular Formula
C11H13N3O2S
Molecular Weight
251.310000
Exact Mass
251.072848
InChI
InChI=1S/C11H13N3O2S/c1-2-7-5-8-10(12-4-3-9(15)16)13-6-14-11(8)17-7/h5-6H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKey
FRKLHYPYUBUYJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.54
TPSA
75.11

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.8
Consensus LogP
2.28
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

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

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