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CAS 1270014-40-8 SNS-062 molecular structure lightbox
CAS RN: 1270014-40-8

SNS-062

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 10mg / 25mg / 100mg / 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1270014-40-8
  • Purity/Analytical Methods: >99.0%
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1270014-40-8 / 2-(3-chloroanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide

Standard CAS: 1270014-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270014-40-8
Multi CAS
No
Molecular Formula
C19H21ClN6O
Molecular Weight
384.900000
Exact Mass
384.146537
SMILES
C1CC(CN(C1)C2=NC=NC3=C2C=CN3)NC(=O)CNC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H21ClN6O/c20-13-3-1-4-14(9-13)22-10-17(27)25-15-5-2-8-26(11-15)19-16-6-7-21-18(16)23-12-24-19/h1,3-4,6-7,9,12,15,22H,2,5,8,10-11H2,(H,25,27)(H,21,23,24)
InChIKey
SPSNKQVUYDXOGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
107.21
TPSA
85.94

LogP / Solubility

WLOGP
2.81
MLOGP
2.49
XLogP3
3.3
Consensus LogP
2.87
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
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
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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