CS-0080589
(R)-12-((S)-7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-7-methoxy-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
Manufacturer: ChemScene
CAS Number: 2136287-80-2
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₅H₂₁F₂N₃O₄S
Molecular Weight
497.51
Synonyms
None
SMILES
O=C(C=C1)C(OC)=C2N1N([C@@H]3C(C=CC=C4)=C4SCC5=C3C=CC(F)=C5F)[C@H]6N(CCOC6)C2=O
Tpsa
64.01
Logp
3.2805
H Acceptors
7
H Donors
0
Rotatable Bonds
2
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₁F₂N₃O₄S
Molecular Weight: 497.51
Synonyms: None
SMILES: O=C(C=C1)C(OC)=C2N1N([C@@H]3C(C=CC=C4)=C4SCC5=C3C=CC(F)=C5F)[C@H]6N(CCOC6)C2=O
Tpsa: 64.01
Logp: 3.2805
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₁F₂N₃O₄S
Molecular Weight:
497.51
Synonyms:
None
SMILES:
O=C(C=C1)C(OC)=C2N1N([C@@H]3C(C=CC=C4)=C4SCC5=C3C=CC(F)=C5F)[C@H]6N(CCOC6)C2=O
Tpsa:
64.01
Logp:
3.2805
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅BrN₂
Molecular Weight: 197.03
Synonyms: None
SMILES: BrC1=CC=C2N1C=NC=C2
Tpsa: 17.3
Logp: 2.0968
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅BrN₂
Molecular Weight:
197.03
Synonyms:
None
SMILES:
BrC1=CC=C2N1C=NC=C2
Tpsa:
17.3
Logp:
2.0968
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₆BrN₃S
Molecular Weight: 280.14
Synonyms: TOSLAB 27601
SMILES: BrC1=NN2C=C(N=C2S1)C3=CC=CC=C3
Tpsa: 30.19
Logp: 3.2203
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆BrN₃S
Molecular Weight:
280.14
Synonyms:
TOSLAB 27601
SMILES:
BrC1=NN2C=C(N=C2S1)C3=CC=CC=C3
Tpsa:
30.19
Logp:
3.2203
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD00043297
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: Pd(CH₃CN)₄(BF₄)₂
Molecular Weight: 444.24
Synonyms: NSC 307191; Palladium(II) tetrafluoroborate tetraacetonitrile complex
SMILES: [Pd(CH3CN)4(BF4)2]
Tpsa: 0
Logp: 0.6361
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD00043297
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
Pd(CH₃CN)₄(BF₄)₂
Molecular Weight:
444.24
Synonyms:
NSC 307191; Palladium(II) tetrafluoroborate tetraacetonitrile complex
SMILES:
[Pd(CH3CN)4(BF4)2]
Tpsa:
0
Logp:
0.6361
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0