CS-0547579
(S)-2-(5,6-dichloro-1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid
Manufacturer: ChemScene
CAS Number: 111104-28-0
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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
C₁₃H₁₁Cl₂NO₄
Molecular Weight
316.14
Synonyms
2H-Isoindole-2-acetic acid, 5,6-dichloro-1,3-dihydro-α-(1-methylethyl)-1,3-dioxo-, (S)- (9CI)
SMILES
CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl
Tpsa
74.68
Logp
2.6986
H Acceptors
3
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 111104-28-0 | (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid | A2B Chem | -- |
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: C₁₃H₁₁Cl₂NO₄
Molecular Weight: 316.14
Synonyms: 2H-Isoindole-2-acetic acid, 5,6-dichloro-1,3-dihydro-α-(1-methylethyl)-1,3-dioxo-, (S)- (9CI)
SMILES: CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl
Tpsa: 74.68
Logp: 2.6986
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₁Cl₂NO₄
Molecular Weight:
316.14
Synonyms:
2H-Isoindole-2-acetic acid, 5,6-dichloro-1,3-dihydro-α-(1-methylethyl)-1,3-dioxo-, (S)- (9CI)
SMILES:
CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl
Tpsa:
74.68
Logp:
2.6986
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₇N₃O
Molecular Weight: 231.29
Synonyms: 1,3-dimethyl-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)C
Tpsa: 39.82
Logp: 2.00282
H Acceptors: 4
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:
C₁₃H₁₇N₃O
Molecular Weight:
231.29
Synonyms:
1,3-dimethyl-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES:
CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)C
Tpsa:
39.82
Logp:
2.00282
H Acceptors:
4
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: C₁₃H₁₅N₃O
Molecular Weight: 229.28
Synonyms: None
SMILES: O=C1NCCNC1C2=CN(C=3C=CC=CC32)C
Tpsa: 46.06
Logp: 0.9388
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₅N₃O
Molecular Weight:
229.28
Synonyms:
None
SMILES:
O=C1NCCNC1C2=CN(C=3C=CC=CC32)C
Tpsa:
46.06
Logp:
0.9388
H Acceptors:
3
H Donors:
2
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: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: 5-methoxy-quinoline-2,4-diol
SMILES: COC1=CC=CC2=C1C(=CC(=O)N2)O
Tpsa: 62.32
Logp: 1.2423
H Acceptors: 3
H Donors: 2
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
5-methoxy-quinoline-2,4-diol
SMILES:
COC1=CC=CC2=C1C(=CC(=O)N2)O
Tpsa:
62.32
Logp:
1.2423
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1