CS-0896999
Methyl 1-(3-(isopropoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl)-1H-indole-2-carboxylate
Manufacturer: ChemScene
CAS Number: 2764870-45-1
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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
C₂₅H₂₄N₂O₄
Molecular Weight
416.47
Synonyms
None
SMILES
O=C(OC)C1=CC2=CC=CC=C2N1N3C(C4=CC=CC=C4)=CC(C(OC(C)C)=O)=C3C
Tpsa
62.46
Logp
5.08142
H Acceptors
6
H Donors
0
Rotatable Bonds
5
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: C₂₅H₂₄N₂O₄
Molecular Weight: 416.47
Synonyms: None
SMILES: O=C(OC)C1=CC2=CC=CC=C2N1N3C(C4=CC=CC=C4)=CC(C(OC(C)C)=O)=C3C
Tpsa: 62.46
Logp: 5.08142
H Acceptors: 6
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:
C₂₅H₂₄N₂O₄
Molecular Weight:
416.47
Synonyms:
None
SMILES:
O=C(OC)C1=CC2=CC=CC=C2N1N3C(C4=CC=CC=C4)=CC(C(OC(C)C)=O)=C3C
Tpsa:
62.46
Logp:
5.08142
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD00055131
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃IN₄O₄
Molecular Weight: 392.15
Synonyms: NSC 113939; 5-ITu
SMILES: NC1=C2C(N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=C2I)=NC=N1
Tpsa: 126.65
Logp: -0.7704
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00055131
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃IN₄O₄
Molecular Weight:
392.15
Synonyms:
NSC 113939; 5-ITu
SMILES:
NC1=C2C(N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=C2I)=NC=N1
Tpsa:
126.65
Logp:
-0.7704
H Acceptors:
8
H Donors:
4
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: C₁₁H₁₈O₃
Molecular Weight: 198.26
Synonyms: None
SMILES: O=C(C1C(CC(C)(C)CC1)=O)OCC
Tpsa: 43.37
Logp: 1.9449
H Acceptors: 3
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:
C₁₁H₁₈O₃
Molecular Weight:
198.26
Synonyms:
None
SMILES:
O=C(C1C(CC(C)(C)CC1)=O)OCC
Tpsa:
43.37
Logp:
1.9449
H Acceptors:
3
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: C₆H₅F₂NO
Molecular Weight: 145.11
Synonyms: None
SMILES: COC1=CN=C(F)C=C1F
Tpsa: 22.12
Logp: 1.3684
H Acceptors: 2
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:
C₆H₅F₂NO
Molecular Weight:
145.11
Synonyms:
None
SMILES:
COC1=CN=C(F)C=C1F
Tpsa:
22.12
Logp:
1.3684
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1