CS-1003393
Resmetirom (Mgl-3196) Impurity 21
Manufacturer: ChemScene
CAS Number: 2768217-12-3
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₃Cl₂N₃O₂
Molecular Weight
314.17
Synonyms
None
SMILES
O=C1C=C(C(=NN1)OC2=C(Cl)C=C(N)C=C2Cl)C(C)C
Tpsa
81
Logp
3.5746
H Acceptors
4
H Donors
2
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2768217-12-3 | | 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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃Cl₂N₃O₂
Molecular Weight: 314.17
Synonyms: None
SMILES: O=C1C=C(C(=NN1)OC2=C(Cl)C=C(N)C=C2Cl)C(C)C
Tpsa: 81
Logp: 3.5746
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₃Cl₂N₃O₂
Molecular Weight:
314.17
Synonyms:
None
SMILES:
O=C1C=C(C(=NN1)OC2=C(Cl)C=C(N)C=C2Cl)C(C)C
Tpsa:
81
Logp:
3.5746
H Acceptors:
4
H Donors:
2
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: C₃₁H₃₅ClO₁₁
Molecular Weight: 619.06
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC(C(C)=O)=C(OCC)C=C3)=C(Cl)C=C2
Tpsa: 140.73
Logp: 4.3302
H Acceptors: 11
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₅ClO₁₁
Molecular Weight:
619.06
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC(C(C)=O)=C(OCC)C=C3)=C(Cl)C=C2
Tpsa:
140.73
Logp:
4.3302
H Acceptors:
11
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₉Cl₂NO₂
Molecular Weight: 280.19
Synonyms: None
SMILES: Cl.ClCC(C1=CC=C(OC)C(OC)=C1)CNC
Tpsa: 30.49
Logp: 2.6674
H Acceptors: 3
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:
C₁₂H₁₉Cl₂NO₂
Molecular Weight:
280.19
Synonyms:
None
SMILES:
Cl.ClCC(C1=CC=C(OC)C(OC)=C1)CNC
Tpsa:
30.49
Logp:
2.6674
H Acceptors:
3
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: 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