CS-0568780
Methyl 5-amino-4-(6-methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-((methylsulfonyl)methyl)benzoate
Manufacturer: ChemScene
CAS Number: 2313230-44-1
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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
C₂₅H₂₅N₃O₇S₂
Molecular Weight
543.61
Synonyms
None
SMILES
O=C(C1=CC(N)=C(C2=CN(C)C(C3=C2C=CN3S(=O)(C4=CC=C(C)C=C4)=O)=O)C=C1CS(=O)(C)=O)OC
Tpsa
147.53
Logp
2.46582
H Acceptors
10
H Donors
1
Rotatable Bonds
6
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: C₂₅H₂₅N₃O₇S₂
Molecular Weight: 543.61
Synonyms: None
SMILES: O=C(C1=CC(N)=C(C2=CN(C)C(C3=C2C=CN3S(=O)(C4=CC=C(C)C=C4)=O)=O)C=C1CS(=O)(C)=O)OC
Tpsa: 147.53
Logp: 2.46582
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₅N₃O₇S₂
Molecular Weight:
543.61
Synonyms:
None
SMILES:
O=C(C1=CC(N)=C(C2=CN(C)C(C3=C2C=CN3S(=O)(C4=CC=C(C)C=C4)=O)=O)C=C1CS(=O)(C)=O)OC
Tpsa:
147.53
Logp:
2.46582
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₉N₃O
Molecular Weight: 139.16
Synonyms: 1H-Pyrazole-5-carboxaldehyde, 1,4-dimethyl-, oxime
SMILES: CC1=C(C=NO)N(C)N=C1
Tpsa: 50.41
Logp: 0.53662
H Acceptors: 4
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:
C₆H₉N₃O
Molecular Weight:
139.16
Synonyms:
1H-Pyrazole-5-carboxaldehyde, 1,4-dimethyl-, oxime
SMILES:
CC1=C(C=NO)N(C)N=C1
Tpsa:
50.41
Logp:
0.53662
H Acceptors:
4
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: C₈H₈BrNO₂
Molecular Weight: 230.06
Synonyms: 2-nitrophenylethylbromide
SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])Br
Tpsa: 43.14
Logp: 3.0507
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:
C₈H₈BrNO₂
Molecular Weight:
230.06
Synonyms:
2-nitrophenylethylbromide
SMILES:
CC(C1=CC=CC=C1[N+](=O)[O-])Br
Tpsa:
43.14
Logp:
3.0507
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: C₁₅H₁₆N₂O
Molecular Weight: 240.30
Synonyms: 2-(2,4-DIBROMO-6-METHYLPHENOXY)ACETIC ACID
SMILES: C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)N
Tpsa: 55.12
Logp: 2.8401
H Acceptors: 2
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:
C₁₅H₁₆N₂O
Molecular Weight:
240.30
Synonyms:
2-(2,4-DIBROMO-6-METHYLPHENOXY)ACETIC ACID
SMILES:
C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)N
Tpsa:
55.12
Logp:
2.8401
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4