CS-0802502
8-(Tert-butoxycarbonyl)-3-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1160161-61-4
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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
C₁₉H₂₀F₃N₃O₄
Molecular Weight
411.38
Synonyms
None
SMILES
OC(=O)C1=C2N(CCCN(C(=O)OC(C)(C)C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3
Tpsa
84.66
Logp
3.8064
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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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: C₁₉H₂₀F₃N₃O₄
Molecular Weight: 411.38
Synonyms: None
SMILES: OC(=O)C1=C2N(CCCN(C(=O)OC(C)(C)C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3
Tpsa: 84.66
Logp: 3.8064
H Acceptors: 5
H Donors: 1
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:
C₁₉H₂₀F₃N₃O₄
Molecular Weight:
411.38
Synonyms:
None
SMILES:
OC(=O)C1=C2N(CCCN(C(=O)OC(C)(C)C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3
Tpsa:
84.66
Logp:
3.8064
H Acceptors:
5
H Donors:
1
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: C₂₃H₃₁F₃N₄O₂
Molecular Weight: 452.51
Synonyms: None
SMILES: CN1CC2N(CCC1)C(=NC=2C(=O)N[C@@H](C(C)(C)C)C(C)(C)O)C3=C(F)C=C(F)C(F)=C3
Tpsa: 70.39
Logp: 3.7183
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₁F₃N₄O₂
Molecular Weight:
452.51
Synonyms:
None
SMILES:
CN1CC2N(CCC1)C(=NC=2C(=O)N[C@@H](C(C)(C)C)C(C)(C)O)C3=C(F)C=C(F)C(F)=C3
Tpsa:
70.39
Logp:
3.7183
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃FO₃
Molecular Weight: 200.21
Synonyms: None
SMILES: O=C1CC(OC2OCCCC2)C(F)=C1
Tpsa: 35.53
Logp: 1.7244
H Acceptors: 3
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:
C₁₀H₁₃FO₃
Molecular Weight:
200.21
Synonyms:
None
SMILES:
O=C1CC(OC2OCCCC2)C(F)=C1
Tpsa:
35.53
Logp:
1.7244
H Acceptors:
3
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: C₁₁H₁₉FO₂Si
Molecular Weight: 230.35
Synonyms: None
SMILES: O=C1CC(C(F)=C1)O[Si](C)(C)C(C)(C)C
Tpsa: 26.3
Logp: 3.203
H Acceptors: 2
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:
C₁₁H₁₉FO₂Si
Molecular Weight:
230.35
Synonyms:
None
SMILES:
O=C1CC(C(F)=C1)O[Si](C)(C)C(C)(C)C
Tpsa:
26.3
Logp:
3.203
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2