CS-0978833
3-Bromo-5-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2940943-34-8
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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
C₁₃H₁₈BrN₃O₄
Molecular Weight
360.20
Synonyms
None
SMILES
O=C(O)C1=NN2C(=C1Br)CN(C(=O)OC(C)(C)C)CCC2
Tpsa
84.66
Logp
2.4846
H Acceptors
5
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
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: C₁₃H₁₈BrN₃O₄
Molecular Weight: 360.20
Synonyms: None
SMILES: O=C(O)C1=NN2C(=C1Br)CN(C(=O)OC(C)(C)C)CCC2
Tpsa: 84.66
Logp: 2.4846
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈BrN₃O₄
Molecular Weight:
360.20
Synonyms:
None
SMILES:
O=C(O)C1=NN2C(=C1Br)CN(C(=O)OC(C)(C)C)CCC2
Tpsa:
84.66
Logp:
2.4846
H Acceptors:
5
H Donors:
1
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: C₁₈H₃₀N₂Sn
Molecular Weight: 393.15
Synonyms: None
SMILES: N#CC1=CN=C(C=C1)[Sn](CCCC)(CCCC)CCCC
Tpsa: 36.68
Logp: 5.00938
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 10
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₀N₂Sn
Molecular Weight:
393.15
Synonyms:
None
SMILES:
N#CC1=CN=C(C=C1)[Sn](CCCC)(CCCC)CCCC
Tpsa:
36.68
Logp:
5.00938
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈FNO₃
Molecular Weight: 197.16
Synonyms: None
SMILES: C(=C(/C(O)=O)\F)\C=1N=C(OC)C=CC1
Tpsa: 59.42
Logp: 1.4852
H Acceptors: 3
H Donors: 1
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:
C₉H₈FNO₃
Molecular Weight:
197.16
Synonyms:
None
SMILES:
C(=C(/C(O)=O)\F)\C=1N=C(OC)C=CC1
Tpsa:
59.42
Logp:
1.4852
H Acceptors:
3
H Donors:
1
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: C₇H₁₆NO₂P
Molecular Weight: 177.18
Synonyms: None
SMILES: O=P(C)(C)C1COCCNC1
Tpsa: 38.33
Logp: 0.5975
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₆NO₂P
Molecular Weight:
177.18
Synonyms:
None
SMILES:
O=P(C)(C)C1COCCNC1
Tpsa:
38.33
Logp:
0.5975
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1