CS-0915469
[1,2,4]Triazolo[5,1-b]quinazolin-8(1H)-one, 2-[[(2-fluorophenyl)methyl]thio]-5,6,7,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-
Manufacturer: ChemScene
CAS Number: 536982-29-3
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₅H₂₅FN₄O₄S
Molecular Weight
496.55
Synonyms
None
SMILES
O=C1C2=C(NC3=NC(=NN3C2C4=CC(OC)=C(OC)C(OC)=C4)SCC=5C=CC=CC5F)CCC1
Tpsa
87.5
Logp
4.7573
H Acceptors
9
H Donors
1
Rotatable Bonds
7
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₅FN₄O₄S
Molecular Weight: 496.55
Synonyms: None
SMILES: O=C1C2=C(NC3=NC(=NN3C2C4=CC(OC)=C(OC)C(OC)=C4)SCC=5C=CC=CC5F)CCC1
Tpsa: 87.5
Logp: 4.7573
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₅FN₄O₄S
Molecular Weight:
496.55
Synonyms:
None
SMILES:
O=C1C2=C(NC3=NC(=NN3C2C4=CC(OC)=C(OC)C(OC)=C4)SCC=5C=CC=CC5F)CCC1
Tpsa:
87.5
Logp:
4.7573
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂Br₂
Molecular Weight: 255.98
Synonyms: None
SMILES: BrCCC=CCCCBr
Tpsa: 0
Logp: 3.5027
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂Br₂
Molecular Weight:
255.98
Synonyms:
None
SMILES:
BrCCC=CCCCBr
Tpsa:
0
Logp:
3.5027
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈Br₂
Molecular Weight: 227.93
Synonyms: None
SMILES: BrCC=CCCBr
Tpsa: 0
Logp: 2.7225
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈Br₂
Molecular Weight:
227.93
Synonyms:
None
SMILES:
BrCC=CCCBr
Tpsa:
0
Logp:
2.7225
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂BrNO₃S
Molecular Weight: 318.19
Synonyms: None
SMILES: O=S(=O)(C=1C=CC(Br)=C(C1C2=NOCC2)C)C
Tpsa: 55.73
Logp: 2.28542
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂BrNO₃S
Molecular Weight:
318.19
Synonyms:
None
SMILES:
O=S(=O)(C=1C=CC(Br)=C(C1C2=NOCC2)C)C
Tpsa:
55.73
Logp:
2.28542
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2