CS-1047714
1-Benzyl-4-iodo-2-methyl-1,2-dihydro-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 3031038-67-9
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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
C₁₁H₁₁IN₂O
Molecular Weight
314.12
Synonyms
None
SMILES
O=C1N(C)N(CC2=CC=CC=C2)C=C1I
Tpsa
26.93
Logp
1.8397
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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: C₁₁H₁₁IN₂O
Molecular Weight: 314.12
Synonyms: None
SMILES: O=C1N(C)N(CC2=CC=CC=C2)C=C1I
Tpsa: 26.93
Logp: 1.8397
H Acceptors: 3
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:
C₁₁H₁₁IN₂O
Molecular Weight:
314.12
Synonyms:
None
SMILES:
O=C1N(C)N(CC2=CC=CC=C2)C=C1I
Tpsa:
26.93
Logp:
1.8397
H Acceptors:
3
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: C₁₃H₂₂O₄
Molecular Weight: 242.31
Synonyms: None
SMILES: O=C(OC(C)(C)C)COCCCCOCC#C
Tpsa: 44.76
Logp: 1.7747
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₂O₄
Molecular Weight:
242.31
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)COCCCCOCC#C
Tpsa:
44.76
Logp:
1.7747
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁₇H₁₇₅N₁₁O₄₂
Molecular Weight: 2407.69
Synonyms: None
SMILES: O=C(NC(COCCC(NCCCNC(CCCCO[C@H]1[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)=O)=O)(COCCC(NCCCNC(CCCCO[C@H]2[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O2)=O)=O)COCCC(NCCCNC(CCCCO[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O3)=O)=O)CCCCCCCCCCC(N4C[C@@H](O)C[C@H]4COC(C5=CC=CC=C5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)=O
Tpsa: 679
Logp: 4.3467
H Acceptors: 42
H Donors: 11
Rotatable Bonds: 80
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁₇H₁₇₅N₁₁O₄₂
Molecular Weight:
2407.69
Synonyms:
None
SMILES:
O=C(NC(COCCC(NCCCNC(CCCCO[C@H]1[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)=O)=O)(COCCC(NCCCNC(CCCCO[C@H]2[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O2)=O)=O)COCCC(NCCCNC(CCCCO[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O3)=O)=O)CCCCCCCCCCC(N4C[C@@H](O)C[C@H]4COC(C5=CC=CC=C5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)=O
Tpsa:
679
Logp:
4.3467
H Acceptors:
42
H Donors:
11
Rotatable Bonds:
80
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₂O₃
Molecular Weight: 226.31
Synonyms: None
SMILES: O=C(OC(C)(C)C)COCCCCCC#C
Tpsa: 35.53
Logp: 2.5383
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₂O₃
Molecular Weight:
226.31
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)COCCCCCC#C
Tpsa:
35.53
Logp:
2.5383
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7