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CAS 927878-49-7 TFC 007 molecular structure lightbox
CAS RN: 927878-49-7

TFC 007

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250706 100mg In stock Shanghai Inquiry
Batchno.20251115 1g Out of stock Inquiry
Batchno.20250117 250mg In stock Shanghai Inquiry
Batchno.20260312 25mg In stock Shanghai Inquiry
Batchno.20250312 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20250331 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS927878-49-7
  • Purity/Analytical Methods: >99.0%
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927878-49-7 / N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]-2-phenoxypyrimidine-5-carboxamide

Standard CAS: 927878-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
927878-49-7
Multi CAS
No
Molecular Formula
C27H29N5O4
Molecular Weight
487.500000
Exact Mass
487.221954
InChI
InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)
InChIKey
NLSSUSRERAMBTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
135.28
TPSA
96.89

LogP / Solubility

WLOGP
3.6
MLOGP
3.2
XLogP3
2.6
Consensus LogP
3.13
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble

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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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