CS-0914477
1-(2-chloro-5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H- pyrrol-3-yl)-N-methylmethanamine fumarate
Manufacturer: ChemScene
CAS Number: 928325-69-3
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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
C₂₁H₁₉ClFN₃O₆S
Molecular Weight
495.91
Synonyms
None
SMILES
C(=C/C(O)=O)\C(O)=O.S(=O)(=O)(N1C(=CC(CNC)=C1Cl)C2=C(F)C=CC=C2)C=3C=CC=NC3
Tpsa
138.59
Logp
3.0108
H Acceptors
7
H Donors
3
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 928325-69-3 | | A2B Chem | -- |
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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: C₂₁H₁₉ClFN₃O₆S
Molecular Weight: 495.91
Synonyms: None
SMILES: C(=C/C(O)=O)\C(O)=O.S(=O)(=O)(N1C(=CC(CNC)=C1Cl)C2=C(F)C=CC=C2)C=3C=CC=NC3
Tpsa: 138.59
Logp: 3.0108
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₉ClFN₃O₆S
Molecular Weight:
495.91
Synonyms:
None
SMILES:
C(=C/C(O)=O)\C(O)=O.S(=O)(=O)(N1C(=CC(CNC)=C1Cl)C2=C(F)C=CC=C2)C=3C=CC=NC3
Tpsa:
138.59
Logp:
3.0108
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₉N₅O₇S
Molecular Weight: 661.77
Synonyms: None
SMILES: S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa: 141
Logp: 5.58212
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₉N₅O₇S
Molecular Weight:
661.77
Synonyms:
None
SMILES:
S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa:
141
Logp:
5.58212
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇N₅
Molecular Weight: 255.32
Synonyms: None
SMILES: C(C)[C@H]1[C@@H](C=2N3C4=C(N=CC3=NC2)NC=C4)CNC1
Tpsa: 58.01
Logp: 1.9236
H Acceptors: 4
H Donors: 2
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:
C₁₄H₁₇N₅
Molecular Weight:
255.32
Synonyms:
None
SMILES:
C(C)[C@H]1[C@@H](C=2N3C4=C(N=CC3=NC2)NC=C4)CNC1
Tpsa:
58.01
Logp:
1.9236
H Acceptors:
4
H Donors:
2
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: C₃₁H₃₀F₃N₅O₆S
Molecular Weight: 657.66
Synonyms: None
SMILES: S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(C(F)(F)F)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa: 131.77
Logp: 4.73592
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₀F₃N₅O₆S
Molecular Weight:
657.66
Synonyms:
None
SMILES:
S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(C(F)(F)F)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa:
131.77
Logp:
4.73592
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
9