CS-1000509
Bromhexine Impurity 116
Manufacturer: ChemScene
CAS Number: 114390-40-8
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₄Br₂N₂O
Molecular Weight
386.08
Synonyms
None
SMILES
O=C1C=2C=C(Br)C=C(Br)C2N=CN1C3CCCCC3
Tpsa
34.89
Logp
4.4267
H Acceptors
3
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 114390-40-8 | 6,8-Dibromo-3-cyclohexylquinazolin-4(3H)-one | 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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄Br₂N₂O
Molecular Weight: 386.08
Synonyms: None
SMILES: O=C1C=2C=C(Br)C=C(Br)C2N=CN1C3CCCCC3
Tpsa: 34.89
Logp: 4.4267
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄Br₂N₂O
Molecular Weight:
386.08
Synonyms:
None
SMILES:
O=C1C=2C=C(Br)C=C(Br)C2N=CN1C3CCCCC3
Tpsa:
34.89
Logp:
4.4267
H Acceptors:
3
H Donors:
0
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: C₂₄H₃₈O₄
Molecular Weight: 390.56
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3=O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa: 74.6
Logp: 4.6861
H Acceptors: 3
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:
C₂₄H₃₈O₄
Molecular Weight:
390.56
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3=O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa:
74.6
Logp:
4.6861
H Acceptors:
3
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: C₈H₁₄O₄
Molecular Weight: 174.19
Synonyms: None
SMILES: C(/C=C\C(OCC)=O)(OC)OC
Tpsa: 44.76
Logp: 0.7246
H Acceptors: 4
H Donors: 0
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:
C₈H₁₄O₄
Molecular Weight:
174.19
Synonyms:
None
SMILES:
C(/C=C\C(OCC)=O)(OC)OC
Tpsa:
44.76
Logp:
0.7246
H Acceptors:
4
H Donors:
0
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: C₂₁H₂₅N₇O₇
Molecular Weight: 487.47
Synonyms: None
SMILES: C(C)(=O)N1C2=C(NC[C@@H]1CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)NC(N)=NC2=O
Tpsa: 219.84
Logp: -0.341
H Acceptors: 9
H Donors: 7
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:
C₂₁H₂₅N₇O₇
Molecular Weight:
487.47
Synonyms:
None
SMILES:
C(C)(=O)N1C2=C(NC[C@@H]1CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)NC(N)=NC2=O
Tpsa:
219.84
Logp:
-0.341
H Acceptors:
9
H Donors:
7
Rotatable Bonds:
9