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CAS 1262857-73-7 2-Pyridinecarboxamide, N-[3-[(3R,6R)-5-amino-3,6-dihydro-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methyl- molecular structure lightbox
CAS RN: 1262857-73-7

2-Pyridinecarboxamide, N-[3-[(3R,6R)-5-amino-3,6-dihydro-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methyl-

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 10mg In stock Shanghai Inquiry
Batchno.20250427 1mg In stock Shanghai Inquiry
Batchno.20260121 25mg In stock Shanghai Inquiry
Batchno.20250807 50mg In stock Shanghai Inquiry
Batchno.20260504 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1262857-73-7
  • Purity/Analytical Methods: >99.0%
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1262857-73-7 / N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide

Standard CAS: 1262857-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262857-73-7
Multi CAS
No
Molecular Formula
C21H19F4N5O2
Molecular Weight
449.400000
Exact Mass
449.147488
SMILES
CC1=CC(=CN=C1C(=O)NC2=CC(=C(C=C2)F)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)C#N
InChI
InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1
InChIKey
BQFHTVUWPJXLOW-VQTJNVASSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.43
TPSA
113.39

LogP / Solubility

WLOGP
3.58
MLOGP
3.18
XLogP3
2.2
Consensus LogP
2.99
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
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)
-2.92

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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