CS-1000884
1,1-Dimethylethyl 3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)-1H-pyrazol-1-yl]-1-azetidinecarboxylate
Manufacturer: ChemScene
CAS Number: 1269823-19-9
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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
C₁₉H₂₁N₇O₂
Molecular Weight
379.42
Synonyms
None
SMILES
N#CCC1(N2N=CC(=C2)C=3C=NN=C4NC=CC43)CN(C(=O)OC(C)(C)C)C1
Tpsa
112.72
Logp
2.68108
H Acceptors
7
H Donors
1
Rotatable Bonds
3
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: C₁₉H₂₁N₇O₂
Molecular Weight: 379.42
Synonyms: None
SMILES: N#CCC1(N2N=CC(=C2)C=3C=NN=C4NC=CC43)CN(C(=O)OC(C)(C)C)C1
Tpsa: 112.72
Logp: 2.68108
H Acceptors: 7
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:
C₁₉H₂₁N₇O₂
Molecular Weight:
379.42
Synonyms:
None
SMILES:
N#CCC1(N2N=CC(=C2)C=3C=NN=C4NC=CC43)CN(C(=O)OC(C)(C)C)C1
Tpsa:
112.72
Logp:
2.68108
H Acceptors:
7
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: C₁₆H₂₀N₆O₂
Molecular Weight: 328.37
Synonyms: None
SMILES: N#CCC(=O)N1CCC(C)C(N(C=2N=CN=C3NC(=O)CC32)C)C1
Tpsa: 102.22
Logp: 0.55808
H Acceptors: 6
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:
C₁₆H₂₀N₆O₂
Molecular Weight:
328.37
Synonyms:
None
SMILES:
N#CCC(=O)N1CCC(C)C(N(C=2N=CN=C3NC(=O)CC32)C)C1
Tpsa:
102.22
Logp:
0.55808
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₃
Molecular Weight: 250.29
Synonyms: None
SMILES: C([C@@H](C(O)=O)N)C1=CC=C(C=C1)N2CCOCC2
Tpsa: 75.79
Logp: 0.4776
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₃
Molecular Weight:
250.29
Synonyms:
None
SMILES:
C([C@@H](C(O)=O)N)C1=CC=C(C=C1)N2CCOCC2
Tpsa:
75.79
Logp:
0.4776
H Acceptors:
4
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: C₂₁H₂₅NO₄
Molecular Weight: 355.43
Synonyms: None
SMILES: C(OC=1C=C2C(=CC1)OCO2)[C@H]3[C@@H](CCN(C)C3)C4=CC=C(OC)C=C4
Tpsa: 40.16
Logp: 3.5382
H Acceptors: 5
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:
C₂₁H₂₅NO₄
Molecular Weight:
355.43
Synonyms:
None
SMILES:
C(OC=1C=C2C(=CC1)OCO2)[C@H]3[C@@H](CCN(C)C3)C4=CC=C(OC)C=C4
Tpsa:
40.16
Logp:
3.5382
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5