TBA-354 200mg

CAT: 0628-A15431-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A15431-200Size:200 mg

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CAS Number

1257426-19-9

Chemical Information

Tba-354

an antitubercular agent; structure in first source

CAS Number	1257426-19-9
PubChem CID	49836057
IUPAC Name	(6S)-2-nitro-6-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Molecular Formula	C19H15F3N4O5
Molecular Weight	436.3
XLogP	3.4
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	614

SMILES

C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CN=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-2-13(3-5-14)16-6-1-12(7-23-16)10-29-15-8-25-9-17(26(27)28)24-18(25)30-11-15/h1-7,9,15H,8,10-11H2/t15-/m0/s1

InChIKey

ZXSGSFMORAILEY-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 1257426-19-9

CID: 49836057

Formula: C19H15F3N4O5

MW: 436.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	436.3
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	436.09945408
Monoisotopic Mass	436.09945408
Topological Polar Surface Area	104 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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A15431-100	TBA-354 100mg
A15431-25	TBA-354 25mg
A15431-50	TBA-354 50mg
A15431-5	TBA-354 5mg
A15431-10	TBA-354 10mg
A15431-10mM-D	TBA-354 10mM * 1mL in DMSO
A20256-200	TBAJ-587 200mg
A10989-100	WYE-354 100mg
A10989-50	WYE-354 50mg
A10989-25	WYE-354 25mg

Alternative Products

Catalog	Name
MBS3601059-01	TBA-354
HY-12485R	TBA-354 (Standard)
SC3319-10mM	TBA-354 (anti-tuberculosis)
T3224-01	TBA-7371
A1266-5	WYE-354
C3058-10	ML-354

TBA-354 200mg

Chemical Information

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