CS-1001727
Resmetirom (Mgl-3196) Impurity 12
Manufacturer: ChemScene
CAS Number: 1581304-50-8
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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
C₂₀H₁₅Cl₂N₃O₃
Molecular Weight
416.26
Synonyms
None
SMILES
O=C(NC1=CC(Cl)=C(OC2=NNC(=O)C(=C2)C(=C)C)C(Cl)=C1)C=3C=CC=CC3
Tpsa
84.08
Logp
5.1544
H Acceptors
4
H Donors
2
Rotatable Bonds
5
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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: C₂₀H₁₅Cl₂N₃O₃
Molecular Weight: 416.26
Synonyms: None
SMILES: O=C(NC1=CC(Cl)=C(OC2=NNC(=O)C(=C2)C(=C)C)C(Cl)=C1)C=3C=CC=CC3
Tpsa: 84.08
Logp: 5.1544
H Acceptors: 4
H Donors: 2
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:
C₂₀H₁₅Cl₂N₃O₃
Molecular Weight:
416.26
Synonyms:
None
SMILES:
O=C(NC1=CC(Cl)=C(OC2=NNC(=O)C(=C2)C(=C)C)C(Cl)=C1)C=3C=CC=CC3
Tpsa:
84.08
Logp:
5.1544
H Acceptors:
4
H Donors:
2
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: C₁₅H₁₅Cl₂N₃O₃
Molecular Weight: 356.20
Synonyms: None
SMILES: O=C1NN=C(OC2=C(Cl)C=C(C=C2Cl)NC(=O)C)C=C1C(C)C
Tpsa: 84.08
Logp: 3.9508
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:
C₁₅H₁₅Cl₂N₃O₃
Molecular Weight:
356.20
Synonyms:
None
SMILES:
O=C1NN=C(OC2=C(Cl)C=C(C=C2Cl)NC(=O)C)C=C1C(C)C
Tpsa:
84.08
Logp:
3.9508
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: C₂₀H₁₇Cl₂N₃O₃
Molecular Weight: 418.27
Synonyms: None
SMILES: O=C(NC1=CC(Cl)=C(OC2=NNC(=O)C(=C2)C(C)C)C(Cl)=C1)C=3C=CC=CC3
Tpsa: 84.08
Logp: 5.2447
H Acceptors: 4
H Donors: 2
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:
C₂₀H₁₇Cl₂N₃O₃
Molecular Weight:
418.27
Synonyms:
None
SMILES:
O=C(NC1=CC(Cl)=C(OC2=NNC(=O)C(=C2)C(C)C)C(Cl)=C1)C=3C=CC=CC3
Tpsa:
84.08
Logp:
5.2447
H Acceptors:
4
H Donors:
2
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: C₄₄H₆₆N₆O₁₃
Molecular Weight: 887.03
Synonyms: None
SMILES: C(CC(N(C[C@@H](COC1=CC=C(CCC(OC[C@H]2OC(C)(C)OC2)=O)C=C1)O)CCNC(=O)N3CCOCC3)=O)C4=CC=C(OC[C@H](CNCCNC(=O)N5CCOCC5)O)C=C4
Tpsa: 219.16
Logp: 0.9279
H Acceptors: 14
H Donors: 5
Rotatable Bonds: 24
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₆₆N₆O₁₃
Molecular Weight:
887.03
Synonyms:
None
SMILES:
C(CC(N(C[C@@H](COC1=CC=C(CCC(OC[C@H]2OC(C)(C)OC2)=O)C=C1)O)CCNC(=O)N3CCOCC3)=O)C4=CC=C(OC[C@H](CNCCNC(=O)N5CCOCC5)O)C=C4
Tpsa:
219.16
Logp:
0.9279
H Acceptors:
14
H Donors:
5
Rotatable Bonds:
24